(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one

C17H23ClN2O — CID 97318754

IUPAC(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
SMILESC[C@H](CC1CC1)N[C@H]1CCCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H23ClN2O/c1-12(11-13-8-9-13)19-15-6-4-10-20(17(15)21)16-7-3-2-5-14(16)18/h2-3,5,7,12-13,15,19H,4,6,8-11H2,1H3/t12-,15+/m1/s1
InChIKeyHNWHHWQPFVWOJM-DOMZBBRYSA-N
MW306.84 g/mol
LogP3.61
Rot. Bonds5

About (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one

(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one (PubChem CID 97318754) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
PubChem CID97318754
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
SMILESC[C@H](CC1CC1)N[C@H]1CCCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H23ClN2O/c1-12(11-13-8-9-13)19-15-6-4-10-20(17(15)21)16-7-3-2-5-14(16)18/h2-3,5,7,12-13,15,19H,4,6,8-11H2,1H3/t12-,15+/m1/s1
InChIKeyHNWHHWQPFVWOJM-DOMZBBRYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one with MolForge

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Related Compounds

1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one
CID 124556502
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one
CID 176632025
1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one
CID 119139081
1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one
CID 102908344
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794855
(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 107639769

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one?
The IUPAC name of (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one (CID 97318754) is (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one?
The canonical SMILES for (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one is C[C@H](CC1CC1)N[C@H]1CCCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one?
The InChIKey is HNWHHWQPFVWOJM-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-12(11-13-8-9-13)19-15-6-4-10-20(17(15)21)16-7-3-2-5-14(16)18/h2-3,5,7,12-13,15,19H,4,6,8-11H2,1H3/t12-,15+/m1/s1.
What are the key properties of (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one?
(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one has a molecular weight of 306.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 97318754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).