2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate

C182H266N26O26S — CID 167678218

IUPAC2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate
SMILESCC(C)(C)C(=O)NCc1cccc(C(=O)N2CCCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCCCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCN(CC(=O)O)CC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCN(CCO)CC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCNCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCSCC2)c1.CCCN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1.CN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1.COC(=O)CN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1
InChIInChI=1S/C20H29N3O4.C20H31N3O2.C19H27N3O4.C19H29N3O3.C18H27N3O2.C18H26N2O2.C17H25N3O2.C17H24N2O3.C17H24N2O2S.C17H24N2O2/c1-20(2,3)19(26)21-13-15-6-5-7-16(12-15)18(25)23-10-8-22(9-11-23)14-17(24)27-4;1-5-9-22-10-12-23(13-11-22)18(24)17-8-6-7-16(14-17)15-21-19(25)20(2,3)4;1-19(2,3)18(26)20-12-14-5-4-6-15(11-14)17(25)22-9-7-21(8-10-22)13-16(23)24;1-19(2,3)18(25)20-14-15-5-4-6-16(13-15)17(24)22-9-7-21(8-10-22)11-12-23;1-18(2,3)17(23)19-13-14-6-5-7-15(12-14)16(22)21-10-8-20(4)9-11-21;1-18(2,3)17(22)19-13-14-8-7-9-15(12-14)16(21)20-10-5-4-6-11-20;1-17(2,3)16(22)19-12-13-5-4-6-14(11-13)15(21)20-9-7-18-8-10-20;2*1-17(2,3)16(21)18-12-13-5-4-6-14(11-13)15(20)19-7-9-22-10-8-19;1-17(2,3)16(21)18-12-13-7-6-8-14(11-13)15(20)19-9-4-5-10-19/h5-7,12H,8-11,13-14H2,1-4H3,(H,21,26);6-8,14H,5,9-13,15H2,1-4H3,(H,21,25);4-6,11H,7-10,12-13H2,1-3H3,(H,20,26)(H,23,24);4-6,13,23H,7-12,14H2,1-3H3,(H,20,25);5-7,12H,8-11,13H2,1-4H3,(H,19,23);7-9,12H,4-6,10-11,13H2,1-3H3,(H,19,22);4-6,11,18H,7-10,12H2,1-3H3,(H,19,22);2*4-6,11H,7-10,12H2,1-3H3,(H,18,21);6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,21)
InChIKeyVDDQTWRFDRNYRA-UHFFFAOYSA-N
MW3266.35 g/mol
LogP19.14
Rot. Bonds38

About 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate

2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate (PubChem CID 167678218) has the molecular formula C182H266N26O26S and a molecular weight of 3266.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Name2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate
PubChem CID167678218
Molecular FormulaC182H266N26O26S
Molecular Weight3266.35 g/mol
Exact Mass3264.00
IUPAC Name2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate
SMILESCC(C)(C)C(=O)NCc1cccc(C(=O)N2CCCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCCCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCN(CC(=O)O)CC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCN(CCO)CC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCNCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCSCC2)c1.CCCN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1.CN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1.COC(=O)CN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1
InChIInChI=1S/C20H29N3O4.C20H31N3O2.C19H27N3O4.C19H29N3O3.C18H27N3O2.C18H26N2O2.C17H25N3O2.C17H24N2O3.C17H24N2O2S.C17H24N2O2/c1-20(2,3)19(26)21-13-15-6-5-7-16(12-15)18(25)23-10-8-22(9-11-23)14-17(24)27-4;1-5-9-22-10-12-23(13-11-22)18(24)17-8-6-7-16(14-17)15-21-19(25)20(2,3)4;1-19(2,3)18(26)20-12-14-5-4-6-15(11-14)17(25)22-9-7-21(8-10-22)13-16(23)24;1-19(2,3)18(25)20-14-15-5-4-6-16(13-15)17(24)22-9-7-21(8-10-22)11-12-23;1-18(2,3)17(23)19-13-14-6-5-7-15(12-14)16(22)21-10-8-20(4)9-11-21;1-18(2,3)17(22)19-13-14-8-7-9-15(12-14)16(21)20-10-5-4-6-11-20;1-17(2,3)16(22)19-12-13-5-4-6-14(11-13)15(21)20-9-7-18-8-10-20;2*1-17(2,3)16(21)18-12-13-5-4-6-14(11-13)15(20)19-7-9-22-10-8-19;1-17(2,3)16(21)18-12-13-7-6-8-14(11-13)15(20)19-9-4-5-10-19/h5-7,12H,8-11,13-14H2,1-4H3,(H,21,26);6-8,14H,5,9-13,15H2,1-4H3,(H,21,25);4-6,11H,7-10,12-13H2,1-3H3,(H,20,26)(H,23,24);4-6,13,23H,7-12,14H2,1-3H3,(H,20,25);5-7,12H,8-11,13H2,1-4H3,(H,19,23);7-9,12H,4-6,10-11,13H2,1-3H3,(H,19,22);4-6,11,18H,7-10,12H2,1-3H3,(H,19,22);2*4-6,11H,7-10,12H2,1-3H3,(H,18,21);6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,21)
InChIKeyVDDQTWRFDRNYRA-UHFFFAOYSA-N
XLogP19.14
TPSA615.39 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003266.35
LogP ≤ 519.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Analyze 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate?
The IUPAC name of 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate (CID 167678218) is 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate.
What is the SMILES notation for 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate?
The canonical SMILES for 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate is CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCCCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCN(CC(=O)O)CC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCN(CCO)CC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCNCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)C(=O)NCc1cccc(C(=O)N2CCSCC2)c1.CCCN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1.CN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1.COC(=O)CN1CCN(C(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate?
The InChIKey is VDDQTWRFDRNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4.C20H31N3O2.C19H27N3O4.C19H29N3O3.C18H27N3O2.C18H26N2O2.C17H25N3O2.C17H24N2O3.C17H24N2O2S.C17H24N2O2/c1-20(2,3)19(26)21-13-15-6-5-7-16(12-15)18(25)23-10-8-22(9-11-23)14-17(24)27-4;1-5-9-22-10-12-23(13-11-22)18(24)17-8-6-7-16(14-17)15-21-19(25)20(2,3)4;1-19(2,3)18(26)20-12-14-5-4-6-15(11-14)17(25)22-9-7-21(8-10-22)13-16(23)24;1-19(2,3)18(25)20-14-15-5-4-6-16(13-15)17(24)22-9-7-21(8-10-22)11-12-23;1-18(2,3)17(23)19-13-14-6-5-7-15(12-14)16(22)21-10-8-20(4)9-11-21;1-18(2,3)17(22)19-13-14-8-7-9-15(12-14)16(21)20-10-5-4-6-11-20;1-17(2,3)16(22)19-12-13-5-4-6-14(11-13)15(21)20-9-7-18-8-10-20;2*1-17(2,3)16(21)18-12-13-5-4-6-14(11-13)15(20)19-7-9-22-10-8-19;1-17(2,3)16(21)18-12-13-7-6-8-14(11-13)15(20)19-9-4-5-10-19/h5-7,12H,8-11,13-14H2,1-4H3,(H,21,26);6-8,14H,5,9-13,15H2,1-4H3,(H,21,25);4-6,11H,7-10,12-13H2,1-3H3,(H,20,26)(H,23,24);4-6,13,23H,7-12,14H2,1-3H3,(H,20,25);5-7,12H,8-11,13H2,1-4H3,(H,19,23);7-9,12H,4-6,10-11,13H2,1-3H3,(H,19,22);4-6,11,18H,7-10,12H2,1-3H3,(H,19,22);2*4-6,11H,7-10,12H2,1-3H3,(H,18,21);6-8,11H,4-5,9-10,12H2,1-3H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate?
2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate has a molecular weight of 3266.35 g/mol, XLogP of 19.14, 38 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide;2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetic acid;2,2-dimethyl-N-[[3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide;2,2-dimethyl-N-[[3-(thiomorpholine-4-carbonyl)phenyl]methyl]propanamide;N-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide;methyl 2-[4-[3-[(2,2-dimethylpropanoylamino)methyl]benzoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 167678218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).