(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone

C17H24N2O2 — CID 125140951

IUPAC(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone
SMILESCO[C@@H](C(=O)N1CCC[C@H](Nc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-21-16(13-9-10-13)17(20)19-11-5-8-15(12-19)18-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3/t15-,16+/m0/s1
InChIKeyJAHFKSQPRNWCDD-JKSUJKDBSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds5

About (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone

(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone (PubChem CID 125140951) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone
PubChem CID125140951
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone
SMILESCO[C@@H](C(=O)N1CCC[C@H](Nc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-21-16(13-9-10-13)17(20)19-11-5-8-15(12-19)18-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3/t15-,16+/m0/s1
InChIKeyJAHFKSQPRNWCDD-JKSUJKDBSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 136516150
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95724781
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine
CID 124628636
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
CID 97228827
[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 42460035
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone?
The IUPAC name of (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone (CID 125140951) is (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone.
What is the SMILES notation for (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone?
The canonical SMILES for (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone is CO[C@@H](C(=O)N1CCC[C@H](Nc2ccccc2)C1)C1CC1.
What is the InChIKey of (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone?
The InChIKey is JAHFKSQPRNWCDD-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16(13-9-10-13)17(20)19-11-5-8-15(12-19)18-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone?
(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone has a molecular weight of 288.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone is sourced from PubChem (CID 125140951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).