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

C19H29N3O2 — CID 119714185

IUPACN-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)c(C)c1
InChIInChI=1S/C19H29N3O2/c1-4-21-19(24)15-7-8-17(14(3)10-15)22-18(23)11-13(2)16-6-5-9-20-12-16/h7-8,10,13,16,20H,4-6,9,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCJBWJKXLJMUACR-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.71
Rot. Bonds6

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

N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide (PubChem CID 119714185) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
PubChem CID119714185
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)c(C)c1
InChIInChI=1S/C19H29N3O2/c1-4-21-19(24)15-7-8-17(14(3)10-15)22-18(23)11-13(2)16-6-5-9-20-12-16/h7-8,10,13,16,20H,4-6,9,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCJBWJKXLJMUACR-UHFFFAOYSA-N
XLogP2.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714059
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119771660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The IUPAC name of N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide (CID 119714185) is N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide is CCNC(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The InChIKey is CJBWJKXLJMUACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-21-19(24)15-7-8-17(14(3)10-15)22-18(23)11-13(2)16-6-5-9-20-12-16/h7-8,10,13,16,20H,4-6,9,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 119714185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).