1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide

C26H27ClN4O2 — CID 45008188

IUPAC1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H27ClN4O2/c27-22-9-7-19(8-10-22)18-31-14-11-21(12-15-31)25(32)30-24-6-2-1-5-23(24)26(33)29-17-20-4-3-13-28-16-20/h1-10,13,16,21H,11-12,14-15,17-18H2,(H,29,33)(H,30,32)
InChIKeyBIWDGAQEBAJWEG-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.52
Rot. Bonds7

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

1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 45008188) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID45008188
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H27ClN4O2/c27-22-9-7-19(8-10-22)18-31-14-11-21(12-15-31)25(32)30-24-6-2-1-5-23(24)26(33)29-17-20-4-3-13-28-16-20/h1-10,13,16,21H,11-12,14-15,17-18H2,(H,29,33)(H,30,32)
InChIKeyBIWDGAQEBAJWEG-UHFFFAOYSA-N
XLogP4.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925587
N-[2-(benzylcarbamoyl)phenyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45013822
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 38100346
1-[(2,4-dichlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925588
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986326
1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925593
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38100390
9-oxo-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-oxabicyclo[3.3.1]nonane-7-carboxamide
CID 136527236
N-(2-carbamoylphenyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 54373800
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 45008188) is 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide is O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BIWDGAQEBAJWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c27-22-9-7-19(8-10-22)18-31-14-11-21(12-15-31)25(32)30-24-6-2-1-5-23(24)26(33)29-17-20-4-3-13-28-16-20/h1-10,13,16,21H,11-12,14-15,17-18H2,(H,29,33)(H,30,32).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 45008188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).