2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide

C19H28N2O2 — CID 18144798

IUPAC2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-14(18(23)20-19(2,3)4)21-12-10-16(11-13-21)17(22)15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,20,23)
InChIKeyGLBFGVIGMXTHCT-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide

2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide (PubChem CID 18144798) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
PubChem CID18144798
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-14(18(23)20-19(2,3)4)21-12-10-16(11-13-21)17(22)15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,20,23)
InChIKeyGLBFGVIGMXTHCT-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 100850192
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690
2-(4-benzoylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55504232
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952
2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide
CID 139619483
2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
(2S)-2-(4-benzoylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 26038452
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 3223551
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
CID 9275115

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide?
The IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide (CID 18144798) is 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide?
The canonical SMILES for 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide?
The InChIKey is GLBFGVIGMXTHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(18(23)20-19(2,3)4)21-12-10-16(11-13-21)17(22)15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,20,23).
What are the key properties of 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide?
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide has a molecular weight of 316.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide is sourced from PubChem (CID 18144798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).