N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide

C23H23ClN4O2 — CID 50765409

IUPACN-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccn2-c2cccnc2)C1
InChIInChI=1S/C23H23ClN4O2/c24-19-9-7-17(8-10-19)14-26-22(29)18-4-2-12-27(16-18)23(30)21-6-3-13-28(21)20-5-1-11-25-15-20/h1,3,5-11,13,15,18H,2,4,12,14,16H2,(H,26,29)
InChIKeyWHKSXKQJCKCKFX-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.69
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 50765409) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
PubChem CID50765409
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccn2-c2cccnc2)C1
InChIInChI=1S/C23H23ClN4O2/c24-19-9-7-17(8-10-19)14-26-22(29)18-4-2-12-27(16-18)23(30)21-6-3-13-28(21)20-5-1-11-25-15-20/h1,3,5-11,13,15,18H,2,4,12,14,16H2,(H,26,29)
InChIKeyWHKSXKQJCKCKFX-UHFFFAOYSA-N
XLogP3.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[[4-(dimethylamino)phenyl]methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 95064495
N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 50765425
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
1-(furan-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3620848
(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42961707

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide (CID 50765409) is N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccn2-c2cccnc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is WHKSXKQJCKCKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-19-9-7-17(8-10-19)14-26-22(29)18-4-2-12-27(16-18)23(30)21-6-3-13-28(21)20-5-1-11-25-15-20/h1,3,5-11,13,15,18H,2,4,12,14,16H2,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 50765409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).