1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one

C17H24N2O — CID 136516150

IUPAC1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
SMILESCC(C(=O)N1CCCC(Nc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H24N2O/c1-13(14-9-10-14)17(20)19-11-5-8-16(12-19)18-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18H,5,8-12H2,1H3
InChIKeyONOFNWDWXUNKII-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.14
Rot. Bonds4

About 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one

1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one (PubChem CID 136516150) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
PubChem CID136516150
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
SMILESCC(C(=O)N1CCCC(Nc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H24N2O/c1-13(14-9-10-14)17(20)19-11-5-8-16(12-19)18-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18H,5,8-12H2,1H3
InChIKeyONOFNWDWXUNKII-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone
CID 125140951
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
CID 97228827
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
6-[(3S)-3-anilinopiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 96543274
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 42460035
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one?
The IUPAC name of 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one (CID 136516150) is 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one is CC(C(=O)N1CCCC(Nc2ccccc2)C1)C1CC1.
What is the InChIKey of 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one?
The InChIKey is ONOFNWDWXUNKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(14-9-10-14)17(20)19-11-5-8-16(12-19)18-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18H,5,8-12H2,1H3.
What are the key properties of 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one?
1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 136516150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).