1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C23H26ClN3O4 — CID 55653577

IUPAC1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C(C)NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H26ClN3O4/c1-15(25-22(29)17-7-3-4-8-18(17)24)23(30)27-13-11-16(12-14-27)21(28)26-19-9-5-6-10-20(19)31-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyMMLPVOSQHGGNLM-UHFFFAOYSA-N
MW443.93 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 55653577) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID55653577
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C(C)NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H26ClN3O4/c1-15(25-22(29)17-7-3-4-8-18(17)24)23(30)27-13-11-16(12-14-27)21(28)26-19-9-5-6-10-20(19)31-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyMMLPVOSQHGGNLM-UHFFFAOYSA-N
XLogP3.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732598
N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 55653463
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 55653577) is 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)C(C)NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is MMLPVOSQHGGNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-15(25-22(29)17-7-3-4-8-18(17)24)23(30)27-13-11-16(12-14-27)21(28)26-19-9-5-6-10-20(19)31-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55653577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).