N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

C22H21ClN4O — CID 53107163

IUPACN-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCCN(c2ncc(-c3ccccc3)cn2)C1
InChIInChI=1S/C22H21ClN4O/c23-19-9-4-10-20(12-19)26-21(28)17-8-5-11-27(15-17)22-24-13-18(14-25-22)16-6-2-1-3-7-16/h1-4,6-7,9-10,12-14,17H,5,8,11,15H2,(H,26,28)
InChIKeyUSCYWMOWDANZGX-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.65
Rot. Bonds4

About N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 53107163) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID53107163
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCCN(c2ncc(-c3ccccc3)cn2)C1
InChIInChI=1S/C22H21ClN4O/c23-19-9-4-10-20(12-19)26-21(28)17-8-5-11-27(15-17)22-24-13-18(14-25-22)16-6-2-1-3-7-16/h1-4,6-7,9-10,12-14,17H,5,8,11,15H2,(H,26,28)
InChIKeyUSCYWMOWDANZGX-UHFFFAOYSA-N
XLogP4.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-chloro-4-fluorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085896
(3S)-N-(3-chloro-4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085857
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728
(3S)-N-(3-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085592
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107179
(3R)-N-(4-bromo-3-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085888
(3R)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085904
(3S)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085905
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 53106960
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 95085716
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide (CID 53107163) is N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCCN(c2ncc(-c3ccccc3)cn2)C1.
What is the InChIKey of N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is USCYWMOWDANZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-19-9-4-10-20(12-19)26-21(28)17-8-5-11-27(15-17)22-24-13-18(14-25-22)16-6-2-1-3-7-16/h1-4,6-7,9-10,12-14,17H,5,8,11,15H2,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53107163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).