N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide

C20H28ClN3O3 — CID 55860372

IUPACN-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H28ClN3O3/c1-3-4-11-23(2)20(27)15-9-12-24(13-10-15)18(25)14-22-19(26)16-7-5-6-8-17(16)21/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,26)
InChIKeyKAIBZTKGXSZLIS-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.57
Rot. Bonds7

About N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55860372) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide
PubChem CID55860372
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H28ClN3O3/c1-3-4-11-23(2)20(27)15-9-12-24(13-10-15)18(25)14-22-19(26)16-7-5-6-8-17(16)21/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,26)
InChIKeyKAIBZTKGXSZLIS-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide
CID 55860378
N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
N-butyl-1-[2-(2-chlorophenyl)sulfanylpropanoyl]-N-methylpiperidine-4-carboxamide
CID 55949392
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide
CID 119297550
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide (CID 55860372) is N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is KAIBZTKGXSZLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-3-4-11-23(2)20(27)15-9-12-24(13-10-15)18(25)14-22-19(26)16-7-5-6-8-17(16)21/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,26).
What are the key properties of N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55860372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).