1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide

C17H21FN4O — CID 71865197

IUPAC1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c18-14-6-4-13(5-7-14)12-22-10-2-1-3-15(22)17(23)21-11-16-19-8-9-20-16/h4-9,15H,1-3,10-12H2,(H,19,20)(H,21,23)
InChIKeyPJHXSCMXRSEDFS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.22
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 71865197) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide
PubChem CID71865197
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c18-14-6-4-13(5-7-14)12-22-10-2-1-3-15(22)17(23)21-11-16-19-8-9-20-16/h4-9,15H,1-3,10-12H2,(H,19,20)(H,21,23)
InChIKeyPJHXSCMXRSEDFS-UHFFFAOYSA-N
XLogP2.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Agi-5198
CID 56645356
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
CID 54585748
PREP inhibitor-1
CID 163321208
1-[(2S)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 164614810
1-[(2S)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-phenylpentan-1-one
CID 164621268
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
(4-(1H-imidazol-2-yl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565830
(4-(1H-imidazol-2-yl)piperidin-1-yl)(4''-fluorobiphenyl-4-yl)methanone
CID 44565850
1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-2-carboxamide
CID 44589485
(S)-1-methyl-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-4-carboxamide
CID 44589487

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide (CID 71865197) is 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide is O=C(NCc1ncc[nH]1)C1CCCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is PJHXSCMXRSEDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-6-4-13(5-7-14)12-22-10-2-1-3-15(22)17(23)21-11-16-19-8-9-20-16/h4-9,15H,1-3,10-12H2,(H,19,20)(H,21,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 71865197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).