1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide

C17H24N2O3 — CID 166304545

IUPAC1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide
SMILESCOc1ccc(CC(=O)N2CCCC(C)(C)C2C(N)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2)9-4-10-19(15(17)16(18)21)14(20)11-12-5-7-13(22-3)8-6-12/h5-8,15H,4,9-11H2,1-3H3,(H2,18,21)
InChIKeyBFBRSGKBYFSOMT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide

1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 166304545) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide
PubChem CID166304545
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide
SMILESCOc1ccc(CC(=O)N2CCCC(C)(C)C2C(N)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2)9-4-10-19(15(17)16(18)21)14(20)11-12-5-7-13(22-3)8-6-12/h5-8,15H,4,9-11H2,1-3H3,(H2,18,21)
InChIKeyBFBRSGKBYFSOMT-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 74554965
1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide
CID 10728317
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
2-(4-methoxyphenyl)-1-(2-methyl-1,4-diazepan-1-yl)ethanone
CID 82246398
1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92595508
1-[2-(4-methoxyphenyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133873
2-(4-methoxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 51095038
1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 129480992
2-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247543
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 102783606
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide (CID 166304545) is 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide is COc1ccc(CC(=O)N2CCCC(C)(C)C2C(N)=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is BFBRSGKBYFSOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2)9-4-10-19(15(17)16(18)21)14(20)11-12-5-7-13(22-3)8-6-12/h5-8,15H,4,9-11H2,1-3H3,(H2,18,21).
What are the key properties of 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide?
1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 166304545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).