3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide

C17H22ClN3O2 — CID 136578562

IUPAC3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCCC2c2ccccc2Cl)C1
InChIInChI=1S/C17H22ClN3O2/c18-14-7-2-1-6-13(14)15-8-4-10-21(15)16(22)12-5-3-9-20(11-12)17(19)23/h1-2,6-7,12,15H,3-5,8-11H2,(H2,19,23)
InChIKeyKFCNLVMTXZPJPW-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.79
Rot. Bonds2

About 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide

3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 136578562) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID136578562
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCCC2c2ccccc2Cl)C1
InChIInChI=1S/C17H22ClN3O2/c18-14-7-2-1-6-13(14)15-8-4-10-21(15)16(22)12-5-3-9-20(11-12)17(19)23/h1-2,6-7,12,15H,3-5,8-11H2,(H2,19,23)
InChIKeyKFCNLVMTXZPJPW-UHFFFAOYSA-N
XLogP2.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 94184145
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120739124
(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 8870376
2-amino-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872447
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide (CID 136578562) is 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide is NC(=O)N1CCCC(C(=O)N2CCCC2c2ccccc2Cl)C1.
What is the InChIKey of 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is KFCNLVMTXZPJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-14-7-2-1-6-13(14)15-8-4-10-21(15)16(22)12-5-3-9-20(11-12)17(19)23/h1-2,6-7,12,15H,3-5,8-11H2,(H2,19,23).
What are the key properties of 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 136578562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).