2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C16H24N2O — CID 103812443

IUPAC2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)CNc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-13(2)14-8-10-18(11-9-14)16(19)12-17-15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3
InChIKeyXMGLYMMIVNNONX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.99
Rot. Bonds4

About 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 103812443) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID103812443
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)CNc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-13(2)14-8-10-18(11-9-14)16(19)12-17-15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3
InChIKeyXMGLYMMIVNNONX-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 166782041
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
CID 70342538
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
2-anilino-1-(2,2-dimethylthiomorpholin-4-yl)ethanone
CID 113267007

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 103812443) is 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)C1CCN(C(=O)CNc2ccccc2)CC1.
What is the InChIKey of 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is XMGLYMMIVNNONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)14-8-10-18(11-9-14)16(19)12-17-15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3.
What are the key properties of 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103812443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).