N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

C23H24N4O — CID 53107179

IUPACN-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1
InChIInChI=1S/C23H24N4O/c1-17-9-11-21(12-10-17)26-22(28)19-8-5-13-27(16-19)23-24-14-20(15-25-23)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,19H,5,8,13,16H2,1H3,(H,26,28)
InChIKeyLXQBTENZUUNWQP-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.31
Rot. Bonds4

About N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 53107179) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID53107179
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1
InChIInChI=1S/C23H24N4O/c1-17-9-11-21(12-10-17)26-22(28)19-8-5-13-27(16-19)23-24-14-20(15-25-23)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,19H,5,8,13,16H2,1H3,(H,26,28)
InChIKeyLXQBTENZUUNWQP-UHFFFAOYSA-N
XLogP4.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085613
(3S)-N-(4-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085612
(3S)-N-(3-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085592
(3S)-N-(3-chloro-4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085857
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
(3R)-N-(4-bromo-3-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085888
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728
(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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085574
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085575
N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107163

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide (CID 53107179) is N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is LXQBTENZUUNWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-9-11-21(12-10-17)26-22(28)19-8-5-13-27(16-19)23-24-14-20(15-25-23)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,19H,5,8,13,16H2,1H3,(H,26,28).
What are the key properties of N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53107179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).