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

C24H37FN4O — CID 153453637

IUPACN-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1NC(F)CCC1C1CC(Cn2ccnc2)CC(C(=O)NC(C2CC2)C2CC2)C1
InChIInChI=1S/C24H37FN4O/c1-15-21(6-7-22(25)27-15)19-10-16(13-29-9-8-26-14-29)11-20(12-19)24(30)28-23(17-2-3-17)18-4-5-18/h8-9,14-23,27H,2-7,10-13H2,1H3,(H,28,30)
InChIKeyFXYQIYQIFZLNSY-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.90
Rot. Bonds7

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

N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 153453637) has the molecular formula C24H37FN4O and a molecular weight of 416.59 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide
PubChem CID153453637
Molecular FormulaC24H37FN4O
Molecular Weight416.59 g/mol
Exact Mass416.30
IUPAC NameN-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1NC(F)CCC1C1CC(Cn2ccnc2)CC(C(=O)NC(C2CC2)C2CC2)C1
InChIInChI=1S/C24H37FN4O/c1-15-21(6-7-22(25)27-15)19-10-16(13-29-9-8-26-14-29)11-20(12-19)24(30)28-23(17-2-3-17)18-4-5-18/h8-9,14-23,27H,2-7,10-13H2,1H3,(H,28,30)
InChIKeyFXYQIYQIFZLNSY-UHFFFAOYSA-N
XLogP3.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.90
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

(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one
CID 75411796
N-[2-(1H-imidazol-1-yl)ethyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 72891266
N-[(3S)-3-imidazol-1-ylbutyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 100131944
3-(1H-imidazol-1-yl)-1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidine
CID 53617079
(2R,3R)-2-cyclopropyl-N-methyl-N-{[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methyl}piperidine-3-carboxamide
CID 138000209
6-(2-chloro-4-fluorocyclohexyl)-N-[cyclopropyl-(4-methylpiperidin-2-yl)methyl]-4-(imidazol-1-ylmethyl)piperidine-2-carboxamide
CID 147243893
6-(2-chloro-4-fluorocyclohexyl)-4-(imidazol-1-ylmethyl)-N-[(6-methylpiperidin-2-yl)methyl]piperidine-2-carboxamide
CID 148455686
6-(2-chloro-4-fluorocyclohexyl)-N-(1-cyclopropylpropyl)-4-(imidazol-1-ylmethyl)piperidine-2-carboxamide
CID 153453509
N-[cyclopropyl-(4-methylpiperidin-2-yl)methyl]-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide
CID 153453541
N-[(3,4-dichlorocyclohexyl)methyl]-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide
CID 153453554
6-(2-chloro-4-fluorocyclohexyl)-N-[(3,5-dimethylcyclohexyl)methyl]-4-(imidazol-1-ylmethyl)piperidine-2-carboxamide
CID 153453582
6-(2-chloro-4-fluorocyclohexyl)-N-(2-cyclopropylpropan-2-yl)-4-(imidazol-1-ylmethyl)piperidine-2-carboxamide
CID 153453587

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide (CID 153453637) is N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide is CC1NC(F)CCC1C1CC(Cn2ccnc2)CC(C(=O)NC(C2CC2)C2CC2)C1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is FXYQIYQIFZLNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN4O/c1-15-21(6-7-22(25)27-15)19-10-16(13-29-9-8-26-14-29)11-20(12-19)24(30)28-23(17-2-3-17)18-4-5-18/h8-9,14-23,27H,2-7,10-13H2,1H3,(H,28,30).
What are the key properties of N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide?
N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 416.59 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-(6-fluoro-2-methylpiperidin-3-yl)-5-(imidazol-1-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 153453637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).