N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide

C23H35N3O2 — CID 119741220

IUPACN-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1)C1CCCNC1
InChIInChI=1S/C23H35N3O2/c1-17(18-9-8-14-24-16-18)15-22(27)25-21-13-7-6-12-20(21)23(28)26(2)19-10-4-3-5-11-19/h6-7,12-13,17-19,24H,3-5,8-11,14-16H2,1-2H3,(H,25,27)
InChIKeyWPDABJQLXRBZJP-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.06
Rot. Bonds6

About N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide

N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide (PubChem CID 119741220) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide
PubChem CID119741220
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1)C1CCCNC1
InChIInChI=1S/C23H35N3O2/c1-17(18-9-8-14-24-16-18)15-22(27)25-21-13-7-6-12-20(21)23(28)26(2)19-10-4-3-5-11-19/h6-7,12-13,17-19,24H,3-5,8-11,14-16H2,1-2H3,(H,25,27)
InChIKeyWPDABJQLXRBZJP-UHFFFAOYSA-N
XLogP4.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828880
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-cyclohexyl-N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119741232
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide (CID 119741220) is N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide is CC(CC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1)C1CCCNC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide?
The InChIKey is WPDABJQLXRBZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17(18-9-8-14-24-16-18)15-22(27)25-21-13-7-6-12-20(21)23(28)26(2)19-10-4-3-5-11-19/h6-7,12-13,17-19,24H,3-5,8-11,14-16H2,1-2H3,(H,25,27).
What are the key properties of N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide?
N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide has a molecular weight of 385.55 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 119741220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).