N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide

C90H116ClN17O9 — CID 167587623

IUPACN-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3C)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3Cl)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3N)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3OC)CC2)cc1
InChIInChI=1S/C23H30N4O3.C23H30N4O2.C22H27ClN4O2.C22H29N5O2/c1-4-21(28)25(2)19-8-10-20(11-9-19)26-14-16-27(17-15-26)22(29)12-7-18-6-5-13-24-23(18)30-3;1-4-22(28)25(3)20-8-10-21(11-9-20)26-14-16-27(17-15-26)23(29)12-7-19-6-5-13-24-18(19)2;2*1-3-20(28)25(2)18-7-9-19(10-8-18)26-13-15-27(16-14-26)21(29)11-6-17-5-4-12-24-22(17)23/h5-6,8-11,13H,4,7,12,14-17H2,1-3H3;5-6,8-11,13H,4,7,12,14-17H2,1-3H3;4-5,7-10,12H,3,6,11,13-16H2,1-2H3;4-5,7-10,12H,3,6,11,13-16H2,1-2H3,(H2,23,24)
InChIKeyHZTOCSNCCVVTME-UHFFFAOYSA-N
MW1615.48 g/mol
LogP11.50
Rot. Bonds25

About N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide

N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide (PubChem CID 167587623) has the molecular formula C90H116ClN17O9 and a molecular weight of 1615.48 g/mol. Its IUPAC name is N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide
PubChem CID167587623
Molecular FormulaC90H116ClN17O9
Molecular Weight1615.48 g/mol
Exact Mass1613.88
IUPAC NameN-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3C)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3Cl)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3N)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3OC)CC2)cc1
InChIInChI=1S/C23H30N4O3.C23H30N4O2.C22H27ClN4O2.C22H29N5O2/c1-4-21(28)25(2)19-8-10-20(11-9-19)26-14-16-27(17-15-26)22(29)12-7-18-6-5-13-24-23(18)30-3;1-4-22(28)25(3)20-8-10-21(11-9-20)26-14-16-27(17-15-26)23(29)12-7-19-6-5-13-24-18(19)2;2*1-3-20(28)25(2)18-7-9-19(10-8-18)26-13-15-27(16-14-26)21(29)11-6-17-5-4-12-24-22(17)23/h5-6,8-11,13H,4,7,12,14-17H2,1-3H3;5-6,8-11,13H,4,7,12,14-17H2,1-3H3;4-5,7-10,12H,3,6,11,13-16H2,1-2H3;4-5,7-10,12H,3,6,11,13-16H2,1-2H3,(H2,23,24)
InChIKeyHZTOCSNCCVVTME-UHFFFAOYSA-N
XLogP11.50
TPSA262.25 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.48
LogP ≤ 511.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide with MolForge

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Related Compounds

N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167606300
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide
CID 167646445
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167688608
N-[4-[6-[3-(2-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-chlorophenyl]-N-methylpropanamide
CID 167574706
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-methyl-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167663575
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167539534
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide (CID 167587623) is N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide is CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3C)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3Cl)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3N)CC2)cc1.CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3cccnc3OC)CC2)cc1.
What is the InChIKey of N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide?
The InChIKey is HZTOCSNCCVVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3.C23H30N4O2.C22H27ClN4O2.C22H29N5O2/c1-4-21(28)25(2)19-8-10-20(11-9-19)26-14-16-27(17-15-26)22(29)12-7-18-6-5-13-24-23(18)30-3;1-4-22(28)25(3)20-8-10-21(11-9-20)26-14-16-27(17-15-26)23(29)12-7-19-6-5-13-24-18(19)2;2*1-3-20(28)25(2)18-7-9-19(10-8-18)26-13-15-27(16-14-26)21(29)11-6-17-5-4-12-24-22(17)23/h5-6,8-11,13H,4,7,12,14-17H2,1-3H3;5-6,8-11,13H,4,7,12,14-17H2,1-3H3;4-5,7-10,12H,3,6,11,13-16H2,1-2H3;4-5,7-10,12H,3,6,11,13-16H2,1-2H3,(H2,23,24).
What are the key properties of N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide?
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide has a molecular weight of 1615.48 g/mol, XLogP of 11.50, 25 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 167587623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).