1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide

C19H24F2N4O — CID 166215537

IUPAC1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CCN(CC(F)F)CC3)cc2)c1C
InChIInChI=1S/C19H24F2N4O/c1-13-14(2)25(12-22-13)17-5-3-16(4-6-17)23-19(26)15-7-9-24(10-8-15)11-18(20)21/h3-6,12,15,18H,7-11H2,1-2H3,(H,23,26)
InChIKeyBSNIJDYOCNPSCN-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.40
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide

1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 166215537) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID166215537
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CCN(CC(F)F)CC3)cc2)c1C
InChIInChI=1S/C19H24F2N4O/c1-13-14(2)25(12-22-13)17-5-3-16(4-6-17)23-19(26)15-7-9-24(10-8-15)11-18(20)21/h3-6,12,15,18H,7-11H2,1-2H3,(H,23,26)
InChIKeyBSNIJDYOCNPSCN-UHFFFAOYSA-N
XLogP3.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 166285379
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
CID 166259664
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
CID 166278294
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 166248205
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
1-amino-3-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclobutane-1-carboxamide
CID 166299186
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
CID 166215859
1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
CID 166299167
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 166327111

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide (CID 166215537) is 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide is Cc1ncn(-c2ccc(NC(=O)C3CCN(CC(F)F)CC3)cc2)c1C.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is BSNIJDYOCNPSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-13-14(2)25(12-22-13)17-5-3-16(4-6-17)23-19(26)15-7-9-24(10-8-15)11-18(20)21/h3-6,12,15,18H,7-11H2,1-2H3,(H,23,26).
What are the key properties of 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide?
1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 166215537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).