N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide

C23H22F2N4O — CID 50844053

IUPACN-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
SMILESCc1cccc(-c2nccc(C3CCCN(C(=O)Nc4cc(F)ccc4F)C3)n2)c1
InChIInChI=1S/C23H22F2N4O/c1-15-4-2-5-16(12-15)22-26-10-9-20(27-22)17-6-3-11-29(14-17)23(30)28-21-13-18(24)7-8-19(21)25/h2,4-5,7-10,12-13,17H,3,6,11,14H2,1H3,(H,28,30)
InChIKeyIXEZDGNALGGZMO-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.14
Rot. Bonds3

About N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide

N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 50844053) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
PubChem CID50844053
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC NameN-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
SMILESCc1cccc(-c2nccc(C3CCCN(C(=O)Nc4cc(F)ccc4F)C3)n2)c1
InChIInChI=1S/C23H22F2N4O/c1-15-4-2-5-16(12-15)22-26-10-9-20(27-22)17-6-3-11-29(14-17)23(30)28-21-13-18(24)7-8-19(21)25/h2,4-5,7-10,12-13,17H,3,6,11,14H2,1H3,(H,28,30)
InChIKeyIXEZDGNALGGZMO-UHFFFAOYSA-N
XLogP5.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-chloro-2-fluorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 95050541
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
(2,6-difluorophenyl)-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093749
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95093754
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 95093752
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
1-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 95093556
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
(3-chloro-4-fluorophenyl)-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95093509
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093689
N-(2,4-dichlorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4011005
cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide (CID 50844053) is N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide is Cc1cccc(-c2nccc(C3CCCN(C(=O)Nc4cc(F)ccc4F)C3)n2)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide?
The InChIKey is IXEZDGNALGGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-15-4-2-5-16(12-15)22-26-10-9-20(27-22)17-6-3-11-29(14-17)23(30)28-21-13-18(24)7-8-19(21)25/h2,4-5,7-10,12-13,17H,3,6,11,14H2,1H3,(H,28,30).
What are the key properties of N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide?
N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 50844053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).