N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C20H27ClN4O3 — CID 55719168

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H27ClN4O3/c1-23(14-18(26)22-17-6-4-5-16(21)13-17)19(27)15-7-11-25(12-8-15)20(28)24-9-2-3-10-24/h4-6,13,15H,2-3,7-12,14H2,1H3,(H,22,26)
InChIKeyAJIIOIMYNLJUPG-UHFFFAOYSA-N
MW406.91 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55719168) has the molecular formula C20H27ClN4O3 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55719168
Molecular FormulaC20H27ClN4O3
Molecular Weight406.91 g/mol
Exact Mass406.18
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H27ClN4O3/c1-23(14-18(26)22-17-6-4-5-16(21)13-17)19(27)15-7-11-25(12-8-15)20(28)24-9-2-3-10-24/h4-6,13,15H,2-3,7-12,14H2,1H3,(H,22,26)
InChIKeyAJIIOIMYNLJUPG-UHFFFAOYSA-N
XLogP2.66
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119732546
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55654055
1-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78896229
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55720056
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119294376
(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide
CID 99787391
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55719168) is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is AJIIOIMYNLJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O3/c1-23(14-18(26)22-17-6-4-5-16(21)13-17)19(27)15-7-11-25(12-8-15)20(28)24-9-2-3-10-24/h4-6,13,15H,2-3,7-12,14H2,1H3,(H,22,26).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 406.91 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55719168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).