N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride

C23H30ClN3O3 — CID 163331694

IUPACN-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-29-20-9-7-18(8-10-20)16-25-23(28)21(15-17-5-3-2-4-6-17)26-22(27)19-11-13-24-14-12-19;/h2-10,19,21,24H,11-16H2,1H3,(H,25,28)(H,26,27);1H
InChIKeyVGCALZCVDMNPDM-UHFFFAOYSA-N
MW431.96 g/mol
LogP2.46
Rot. Bonds8

About N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride

N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 163331694) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID163331694
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC NameN-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-29-20-9-7-18(8-10-20)16-25-23(28)21(15-17-5-3-2-4-6-17)26-22(27)19-11-13-24-14-12-19;/h2-10,19,21,24H,11-16H2,1H3,(H,25,28)(H,26,27);1H
InChIKeyVGCALZCVDMNPDM-UHFFFAOYSA-N
XLogP2.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119288096
(2R)-3-(1,3-benzodioxol-5-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 72714681
N-benzylpiperidine-4-carboxamide
CID 3868064
[4-[[[(2S)-2-[[3,5-bis[[(2S)-1-[(4-boronophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]methyl]phenyl]boronic acid
CID 59129602
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005
N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 123411994
4-(aminomethyl)-N-[1-[(4-methylphenyl)methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 176691240
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
CID 134344790
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride (CID 163331694) is N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride is COc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is VGCALZCVDMNPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-29-20-9-7-18(8-10-20)16-25-23(28)21(15-17-5-3-2-4-6-17)26-22(27)19-11-13-24-14-12-19;/h2-10,19,21,24H,11-16H2,1H3,(H,25,28)(H,26,27);1H.
What are the key properties of N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride?
N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 163331694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).