2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride

C15H23ClN2O — CID 119734687

IUPAC2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)CNc2ccccc2)C1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-15(2)9-6-10-17(12-15)14(18)11-16-13-7-4-3-5-8-13;/h3-5,7-8,16H,6,9-12H2,1-2H3;1H
InChIKeyNMSZJMBPWZGJOJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.17
Rot. Bonds3

About 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride

2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119734687) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119734687
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)CNc2ccccc2)C1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-15(2)9-6-10-17(12-15)14(18)11-16-13-7-4-3-5-8-13;/h3-5,7-8,16H,6,9-12H2,1-2H3;1H
InChIKeyNMSZJMBPWZGJOJ-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone
CID 113267007
2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
CID 119768979
2-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 115923844
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
4-(2-anilinoacetyl)piperazine-2,6-dione
CID 66084598
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
CID 72841382

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride (CID 119734687) is 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride is CC1(C)CCCN(C(=O)CNc2ccccc2)C1.Cl.
What is the InChIKey of 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is NMSZJMBPWZGJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-15(2)9-6-10-17(12-15)14(18)11-16-13-7-4-3-5-8-13;/h3-5,7-8,16H,6,9-12H2,1-2H3;1H.
What are the key properties of 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119734687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).