4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride

C122H147ClN16O16 — CID 158939881

IUPAC4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1.CC(C)(C)OC(=O)NCC(=O)O.COc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)ccc1N.COc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)ccc1NC(=O)OC(C)(C)C.Cl.NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1.c1ccc(-c2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C31H36N4O5.C26H28N4O3.C23H29N3O3.C18H21N3O.C17H19N.C7H13NO4.ClH/c1-31(2,3)40-30(38)33-25-15-14-23(20-27(25)39-4)29(37)32-21-28(36)35-18-16-34(17-19-35)26-13-9-8-12-24(26)22-10-6-5-7-11-22;1-33-24-17-20(11-12-22(24)27)26(32)28-18-25(31)30-15-13-29(14-16-30)23-10-6-5-9-21(23)19-7-3-2-4-8-19;1-23(2,3)29-22(28)24-17-21(27)26-15-13-25(14-16-26)20-12-8-7-11-19(20)18-9-5-4-6-10-18;19-14-18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)15-6-2-1-3-7-15;1-3-9-15(10-4-1)16-11-5-6-12-17(16)18-13-7-2-8-14-18;1-7(2,3)12-6(11)8-4-5(9)10;/h5-15,20H,16-19,21H2,1-4H3,(H,32,37)(H,33,38);2-12,17H,13-16,18,27H2,1H3,(H,28,32);4-12H,13-17H2,1-3H3,(H,24,28);1-9H,10-14,19H2;1,3-6,9-12H,2,7-8,13-14H2;4H2,1-3H3,(H,8,11)(H,9,10);1H
InChIKeyVGOSPRQCLPGFMB-UHFFFAOYSA-N
MW2129.07 g/mol
LogP18.66
Rot. Bonds24

About 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride

4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride (PubChem CID 158939881) has the molecular formula C122H147ClN16O16 and a molecular weight of 2129.07 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride
PubChem CID158939881
Molecular FormulaC122H147ClN16O16
Molecular Weight2129.07 g/mol
Exact Mass2127.09
IUPAC Name4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1.CC(C)(C)OC(=O)NCC(=O)O.COc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)ccc1N.COc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)ccc1NC(=O)OC(C)(C)C.Cl.NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1.c1ccc(-c2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C31H36N4O5.C26H28N4O3.C23H29N3O3.C18H21N3O.C17H19N.C7H13NO4.ClH/c1-31(2,3)40-30(38)33-25-15-14-23(20-27(25)39-4)29(37)32-21-28(36)35-18-16-34(17-19-35)26-13-9-8-12-24(26)22-10-6-5-7-11-22;1-33-24-17-20(11-12-22(24)27)26(32)28-18-25(31)30-15-13-29(14-16-30)23-10-6-5-9-21(23)19-7-3-2-4-8-19;1-23(2,3)29-22(28)24-17-21(27)26-15-13-25(14-16-26)20-12-8-7-11-19(20)18-9-5-4-6-10-18;19-14-18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)15-6-2-1-3-7-15;1-3-9-15(10-4-1)16-11-5-6-12-17(16)18-13-7-2-8-14-18;1-7(2,3)12-6(11)8-4-5(9)10;/h5-15,20H,16-19,21H2,1-4H3,(H,32,37)(H,33,38);2-12,17H,13-16,18,27H2,1H3,(H,28,32);4-12H,13-17H2,1-3H3,(H,24,28);1-9H,10-14,19H2;1,3-6,9-12H,2,7-8,13-14H2;4H2,1-3H3,(H,8,11)(H,9,10);1H
InChIKeyVGOSPRQCLPGFMB-UHFFFAOYSA-N
XLogP18.66
TPSA378.43 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002129.07
LogP ≤ 518.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride with MolForge

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Related Compounds

2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;isoquinoline-6-carboxylic acid;N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]isoquinoline-6-carboxamide;hydrochloride
CID 160670426
2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564588
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
tert-butyl N-[2-oxo-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]carbamate
CID 108532803
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
3,4-dimethoxy-N-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]benzamide
CID 37033418
methyl 3-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate
CID 138683323
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 9082532
tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate
CID 146281522
tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate
CID 66591390
tert-butyl N-[5-amino-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 89182828

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride (CID 158939881) is 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride is CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1.CC(C)(C)OC(=O)NCC(=O)O.COc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)ccc1N.COc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)ccc1NC(=O)OC(C)(C)C.Cl.NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1.c1ccc(-c2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride?
The InChIKey is VGOSPRQCLPGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O5.C26H28N4O3.C23H29N3O3.C18H21N3O.C17H19N.C7H13NO4.ClH/c1-31(2,3)40-30(38)33-25-15-14-23(20-27(25)39-4)29(37)32-21-28(36)35-18-16-34(17-19-35)26-13-9-8-12-24(26)22-10-6-5-7-11-22;1-33-24-17-20(11-12-22(24)27)26(32)28-18-25(31)30-15-13-29(14-16-30)23-10-6-5-9-21(23)19-7-3-2-4-8-19;1-23(2,3)29-22(28)24-17-21(27)26-15-13-25(14-16-26)20-12-8-7-11-19(20)18-9-5-4-6-10-18;19-14-18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)15-6-2-1-3-7-15;1-3-9-15(10-4-1)16-11-5-6-12-17(16)18-13-7-2-8-14-18;1-7(2,3)12-6(11)8-4-5(9)10;/h5-15,20H,16-19,21H2,1-4H3,(H,32,37)(H,33,38);2-12,17H,13-16,18,27H2,1H3,(H,28,32);4-12H,13-17H2,1-3H3,(H,24,28);1-9H,10-14,19H2;1,3-6,9-12H,2,7-8,13-14H2;4H2,1-3H3,(H,8,11)(H,9,10);1H.
What are the key properties of 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride?
4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride has a molecular weight of 2129.07 g/mol, XLogP of 18.66, 24 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]benzamide;2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;tert-butyl N-[2-methoxy-4-[[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl]carbamate;tert-butyl N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;1-(2-phenylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 158939881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).