N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide

C17H24N2O2 — CID 62734496

IUPACN-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
SMILESCCC1(C)CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-4-17(3)8-10-19(11-9-17)16(21)18-15-7-5-6-14(12-15)13(2)20/h5-7,12H,4,8-11H2,1-3H3,(H,18,21)
InChIKeyYXVKSMFVBXGBPM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.93
Rot. Bonds3

About N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide

N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide (PubChem CID 62734496) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
PubChem CID62734496
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
SMILESCCC1(C)CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-4-17(3)8-10-19(11-9-17)16(21)18-15-7-5-6-14(12-15)13(2)20/h5-7,12H,4,8-11H2,1-3H3,(H,18,21)
InChIKeyYXVKSMFVBXGBPM-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103601
N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide
CID 107394432
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
CID 55156325
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195
N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide
CID 84580189
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide (CID 62734496) is N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide is CCC1(C)CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide?
The InChIKey is YXVKSMFVBXGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-17(3)8-10-19(11-9-17)16(21)18-15-7-5-6-14(12-15)13(2)20/h5-7,12H,4,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide?
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 62734496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).