1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride

C23H30ClN3O3 — CID 119732598

IUPAC1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-16(21(24)17-8-4-3-5-9-17)23(28)26-14-12-18(13-15-26)22(27)25-19-10-6-7-11-20(19)29-2;/h3-11,16,18,21H,12-15,24H2,1-2H3,(H,25,27);1H
InChIKeyUIBXFIXJJFPPPT-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.63
Rot. Bonds6

About 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride

1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119732598) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119732598
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-16(21(24)17-8-4-3-5-9-17)23(28)26-14-12-18(13-15-26)22(27)25-19-10-6-7-11-20(19)29-2;/h3-11,16,18,21H,12-15,24H2,1-2H3,(H,25,27);1H
InChIKeyUIBXFIXJJFPPPT-UHFFFAOYSA-N
XLogP3.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732590
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653577
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720641
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 120589254
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride (CID 119732598) is 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride is COc1ccccc1NC(=O)C1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is UIBXFIXJJFPPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-16(21(24)17-8-4-3-5-9-17)23(28)26-14-12-18(13-15-26)22(27)25-19-10-6-7-11-20(19)29-2;/h3-11,16,18,21H,12-15,24H2,1-2H3,(H,25,27);1H.
What are the key properties of 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119732598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).