N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide

C21H27FN4O2 — CID 167932322

IUPACN-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC(c2ccc(F)cc2)c2ncc[nH]2)C1
InChIInChI=1S/C21H27FN4O2/c1-3-14(2)21(28)26-12-4-5-16(13-26)20(27)25-18(19-23-10-11-24-19)15-6-8-17(22)9-7-15/h6-11,14,16,18H,3-5,12-13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyJKHKWGCOLGINHQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide

N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide (PubChem CID 167932322) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
PubChem CID167932322
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC(c2ccc(F)cc2)c2ncc[nH]2)C1
InChIInChI=1S/C21H27FN4O2/c1-3-14(2)21(28)26-12-4-5-16(13-26)20(27)25-18(19-23-10-11-24-19)15-6-8-17(22)9-7-15/h6-11,14,16,18H,3-5,12-13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyJKHKWGCOLGINHQ-UHFFFAOYSA-N
XLogP3.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
N-butan-2-yl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006551
1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 86968814
(3R)-3-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31359319
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 97095575
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724956
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98682472
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 86965317

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide (CID 167932322) is N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide is CCC(C)C(=O)N1CCCC(C(=O)NC(c2ccc(F)cc2)c2ncc[nH]2)C1.
What is the InChIKey of N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The InChIKey is JKHKWGCOLGINHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-3-14(2)21(28)26-12-4-5-16(13-26)20(27)25-18(19-23-10-11-24-19)15-6-8-17(22)9-7-15/h6-11,14,16,18H,3-5,12-13H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide?
N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 167932322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).