1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H23ClN4O3 — CID 55932117

IUPAC1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C21H23ClN4O3/c1-14-6-7-18(23-12-14)25-20(28)15-8-10-26(11-9-15)19(27)13-24-21(29)16-4-2-3-5-17(16)22/h2-7,12,15H,8-11,13H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyOKYUXYIPDCBSQX-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55932117) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55932117
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C21H23ClN4O3/c1-14-6-7-18(23-12-14)25-20(28)15-8-10-26(11-9-15)19(27)13-24-21(29)16-4-2-3-5-17(16)22/h2-7,12,15H,8-11,13H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyOKYUXYIPDCBSQX-UHFFFAOYSA-N
XLogP2.65
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55815420
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119855182
1-[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 136515469
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide
CID 55993439
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 55653463

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55932117) is 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)nc1.
What is the InChIKey of 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is OKYUXYIPDCBSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-14-6-7-18(23-12-14)25-20(28)15-8-10-26(11-9-15)19(27)13-24-21(29)16-4-2-3-5-17(16)22/h2-7,12,15H,8-11,13H2,1H3,(H,24,29)(H,23,25,28).
What are the key properties of 1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 2.65, 5 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]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).