1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C25H28N4O — CID 90519234

IUPAC1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(c3cc(-c4ccccc4)ncn3)C2)cc1
InChIInChI=1S/C25H28N4O/c1-18(2)19-10-12-22(13-11-19)28-25(30)21-9-6-14-29(16-21)24-15-23(26-17-27-24)20-7-4-3-5-8-20/h3-5,7-8,10-13,15,17-18,21H,6,9,14,16H2,1-2H3,(H,28,30)
InChIKeyPMPZUMLXNORGQF-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.12
Rot. Bonds5

About 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 90519234) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID90519234
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(c3cc(-c4ccccc4)ncn3)C2)cc1
InChIInChI=1S/C25H28N4O/c1-18(2)19-10-12-22(13-11-19)28-25(30)21-9-6-14-29(16-21)24-15-23(26-17-27-24)20-7-4-3-5-8-20/h3-5,7-8,10-13,15,17-18,21H,6,9,14,16H2,1-2H3,(H,28,30)
InChIKeyPMPZUMLXNORGQF-UHFFFAOYSA-N
XLogP5.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519241
N-(4-chloro-3-nitrophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519386
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519401
N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519369
N-(2,4-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519285
N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519275
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992
N-(5-chloro-2-methoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519286

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 90519234) is 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)C2CCCN(c3cc(-c4ccccc4)ncn3)C2)cc1.
What is the InChIKey of 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is PMPZUMLXNORGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18(2)19-10-12-22(13-11-19)28-25(30)21-9-6-14-29(16-21)24-15-23(26-17-27-24)20-7-4-3-5-8-20/h3-5,7-8,10-13,15,17-18,21H,6,9,14,16H2,1-2H3,(H,28,30).
What are the key properties of 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 90519234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).