(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide

C24H28ClN3O2 — CID 93491922

IUPAC(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C24H28ClN3O2/c25-21-11-3-1-8-18(21)16-27-13-7-9-19(17-27)23(29)26-22-12-4-2-10-20(22)24(30)28-14-5-6-15-28/h1-4,8,10-12,19H,5-7,9,13-17H2,(H,26,29)/t19-/m1/s1
InChIKeyQREUDKFTJOTBSO-LJQANCHMSA-N
MW425.96 g/mol
LogP4.43
Rot. Bonds5

About (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide

(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide (PubChem CID 93491922) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
PubChem CID93491922
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C24H28ClN3O2/c25-21-11-3-1-8-18(21)16-27-13-7-9-19(17-27)23(29)26-22-12-4-2-10-20(22)24(30)28-14-5-6-15-28/h1-4,8,10-12,19H,5-7,9,13-17H2,(H,26,29)/t19-/m1/s1
InChIKeyQREUDKFTJOTBSO-LJQANCHMSA-N
XLogP4.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491921
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491924
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43920320
1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923681
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperidine-3-carboxamide
CID 93490992
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 38097501
(3R)-1-[(4-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 38097496
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43919301

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide (CID 93491922) is (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The InChIKey is QREUDKFTJOTBSO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-21-11-3-1-8-18(21)16-27-13-7-9-19(17-27)23(29)26-22-12-4-2-10-20(22)24(30)28-14-5-6-15-28/h1-4,8,10-12,19H,5-7,9,13-17H2,(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide?
(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 93491922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).