N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide

C23H36N2O — CID 51361418

IUPACN-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide
SMILESCC1CC(C)CN(C(CCc2ccccc2)C(=O)NC2CCCCC2)C1
InChIInChI=1S/C23H36N2O/c1-18-15-19(2)17-25(16-18)22(14-13-20-9-5-3-6-10-20)23(26)24-21-11-7-4-8-12-21/h3,5-6,9-10,18-19,21-22H,4,7-8,11-17H2,1-2H3,(H,24,26)
InChIKeyCVCXZAHQAPPXNX-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.41
Rot. Bonds6

About N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide

N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide (PubChem CID 51361418) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide
PubChem CID51361418
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC NameN-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide
SMILESCC1CC(C)CN(C(CCc2ccccc2)C(=O)NC2CCCCC2)C1
InChIInChI=1S/C23H36N2O/c1-18-15-19(2)17-25(16-18)22(14-13-20-9-5-3-6-10-20)23(26)24-21-11-7-4-8-12-21/h3,5-6,9-10,18-19,21-22H,4,7-8,11-17H2,1-2H3,(H,24,26)
InChIKeyCVCXZAHQAPPXNX-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 94778967
2-(3-methylazetidin-1-yl)-4-phenylbutanoic acid
CID 114920814
(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
(2S)-N-cyclohexyl-2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanamide
CID 11893024
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
CID 104983814
4-[1-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]benzimidazol-2-yl]benzoic acid
CID 141193431
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide (CID 51361418) is N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide is CC1CC(C)CN(C(CCc2ccccc2)C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide?
The InChIKey is CVCXZAHQAPPXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c1-18-15-19(2)17-25(16-18)22(14-13-20-9-5-3-6-10-20)23(26)24-21-11-7-4-8-12-21/h3,5-6,9-10,18-19,21-22H,4,7-8,11-17H2,1-2H3,(H,24,26).
What are the key properties of N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide?
N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide has a molecular weight of 356.55 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide is sourced from PubChem (CID 51361418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).