(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide

C17H26F2N4O — CID 124875203

IUPAC(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)C[C@H]1n1ccnc1
InChIInChI=1S/C17H26F2N4O/c1-13-4-8-22(11-15(13)23-9-7-20-12-23)16(24)21-10-14-2-5-17(18,19)6-3-14/h7,9,12-15H,2-6,8,10-11H2,1H3,(H,21,24)/t13-,15-/m1/s1
InChIKeyJONNTNPZRJQGOD-UKRRQHHQSA-N
MW340.42 g/mol
LogP3.30
Rot. Bonds3

About (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide

(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide (PubChem CID 124875203) has the molecular formula C17H26F2N4O and a molecular weight of 340.42 g/mol. Its IUPAC name is (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
PubChem CID124875203
Molecular FormulaC17H26F2N4O
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)C[C@H]1n1ccnc1
InChIInChI=1S/C17H26F2N4O/c1-13-4-8-22(11-15(13)23-9-7-20-12-23)16(24)21-10-14-2-5-17(18,19)6-3-14/h7,9,12-15H,2-6,8,10-11H2,1H3,(H,21,24)/t13-,15-/m1/s1
InChIKeyJONNTNPZRJQGOD-UKRRQHHQSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024367
(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124622207
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 136514717
(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
CID 124875381
(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
CID 125140956
methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615103
5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124567981
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
CID 97224827
2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047143
2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047164
(2-fluoro-6-methylsulfanylphenyl)-[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methanone
CID 124873903
N-[(1-methylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide
CID 60855295

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide?
The IUPAC name of (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide (CID 124875203) is (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide is C[C@@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)C[C@H]1n1ccnc1.
What is the InChIKey of (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide?
The InChIKey is JONNTNPZRJQGOD-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H26F2N4O/c1-13-4-8-22(11-15(13)23-9-7-20-12-23)16(24)21-10-14-2-5-17(18,19)6-3-14/h7,9,12-15H,2-6,8,10-11H2,1H3,(H,21,24)/t13-,15-/m1/s1.
What are the key properties of (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide?
(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 124875203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).