N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide

C25H41FN4O — CID 153453683

IUPACN-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CC(Cn2ccnc2)CC(C2CCC(F)NC2C)C1)C1CCCCC1
InChIInChI=1S/C25H41FN4O/c1-17(20-6-4-3-5-7-20)29-25(31)22-13-19(15-30-11-10-27-16-30)12-21(14-22)23-8-9-24(26)28-18(23)2/h10-11,16-24,28H,3-9,12-15H2,1-2H3,(H,29,31)
InChIKeyGOAZXAWQBJNJBM-UHFFFAOYSA-N
MW432.63 g/mol
LogP4.68
Rot. Bonds6

About N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide

N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 153453683) has the molecular formula C25H41FN4O and a molecular weight of 432.63 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide
PubChem CID153453683
Molecular FormulaC25H41FN4O
Molecular Weight432.63 g/mol
Exact Mass432.33
IUPAC NameN-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CC(Cn2ccnc2)CC(C2CCC(F)NC2C)C1)C1CCCCC1
InChIInChI=1S/C25H41FN4O/c1-17(20-6-4-3-5-7-20)29-25(31)22-13-19(15-30-11-10-27-16-30)12-21(14-22)23-8-9-24(26)28-18(23)2/h10-11,16-24,28H,3-9,12-15H2,1-2H3,(H,29,31)
InChIKeyGOAZXAWQBJNJBM-UHFFFAOYSA-N
XLogP4.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one
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3-acetamido-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyladamantane-1-carboxamide
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CID 72891266
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N-[(3S)-3-imidazol-1-ylbutyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide (CID 153453683) is N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide is CC(NC(=O)C1CC(Cn2ccnc2)CC(C2CCC(F)NC2C)C1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is GOAZXAWQBJNJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41FN4O/c1-17(20-6-4-3-5-7-20)29-25(31)22-13-19(15-30-11-10-27-16-30)12-21(14-22)23-8-9-24(26)28-18(23)2/h10-11,16-24,28H,3-9,12-15H2,1-2H3,(H,29,31).
What are the key properties of N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide?
N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 153453683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).