4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide

C22H40N2O — CID 23381457

IUPAC4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide
SMILESCCCCC1CCN(C(=O)N(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C22H40N2O/c1-2-3-10-19-15-17-23(18-16-19)22(25)24(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h19-21H,2-18H2,1H3
InChIKeyRPGPXVADKVWTTR-UHFFFAOYSA-N
MW348.58 g/mol
LogP5.98
Rot. Bonds5

About 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide

4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide (PubChem CID 23381457) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide
PubChem CID23381457
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide
SMILESCCCCC1CCN(C(=O)N(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C22H40N2O/c1-2-3-10-19-15-17-23(18-16-19)22(25)24(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h19-21H,2-18H2,1H3
InChIKeyRPGPXVADKVWTTR-UHFFFAOYSA-N
XLogP5.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.58
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[(1R)-1-cyclohexylethyl]-1,3-diazinan-2-one
CID 12965077
1,3-Dimethyl-1-octyl-3-(1,2,2,3-tetramethylpiperidin-4-yl)urea
CID 20482917
1,1-Dibutyl-3-cyclohexyl-3-(1,2,2,3-tetramethylpiperidin-4-yl)urea
CID 20482947
1-(2-Cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one
CID 21025306
1-Cyclohexyl-3-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]urea
CID 21559312
4-butyl-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 22970129
1-Cyclohexyl-3-ethyl-1-(4-methylcyclohexyl)-3-[[methyl(6-methylheptyl)amino]methyl]urea
CID 57260684
1-[4-[(Dimethylamino)methyl]cyclohexyl]-1-ethyl-3,3-dimethylurea
CID 58438250
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 66802344
N-methyl-N-isobutyl-N',N'-dicyclohexylurea
CID 67194883
1-(4-Methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea
CID 67472922
1-(3-Cyclohexylpropyl)-1-(4-methylcyclohexyl)urea
CID 67490515

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide (CID 23381457) is 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide is CCCCC1CCN(C(=O)N(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide?
The InChIKey is RPGPXVADKVWTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-2-3-10-19-15-17-23(18-16-19)22(25)24(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h19-21H,2-18H2,1H3.
What are the key properties of 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide?
4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide has a molecular weight of 348.58 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N,N-dicyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 23381457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).