N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide

C23H35N3O2 — CID 119743419

IUPACN-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1)C1CCNCC1
InChIInChI=1S/C23H35N3O2/c1-17(18-12-14-24-15-13-18)16-22(27)25-20-10-8-19(9-11-20)23(28)26(2)21-6-4-3-5-7-21/h8-11,17-18,21,24H,3-7,12-16H2,1-2H3,(H,25,27)
InChIKeyQOIWYJBSGXFVSP-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.06
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide

N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide (PubChem CID 119743419) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
PubChem CID119743419
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1)C1CCNCC1
InChIInChI=1S/C23H35N3O2/c1-17(18-12-14-24-15-13-18)16-22(27)25-20-10-8-19(9-11-20)23(28)26(2)21-6-4-3-5-7-21/h8-11,17-18,21,24H,3-7,12-16H2,1-2H3,(H,25,27)
InChIKeyQOIWYJBSGXFVSP-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-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040
2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
CID 119220363

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide (CID 119743419) is N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide is CC(CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1)C1CCNCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The InChIKey is QOIWYJBSGXFVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17(18-12-14-24-15-13-18)16-22(27)25-20-10-8-19(9-11-20)23(28)26(2)21-6-4-3-5-7-21/h8-11,17-18,21,24H,3-7,12-16H2,1-2H3,(H,25,27).
What are the key properties of N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
N-cyclohexyl-N-methyl-4-(3-piperidin-4-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-4-(3-piperidin-4-ylbutanoylamino)benzamide is sourced from PubChem (CID 119743419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).