(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one

C16H22N2O2S — CID 97322605

IUPAC(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
SMILESCOc1ccccc1N1CCC[C@@H](N[C@@H]2CCSC2)C1=O
InChIInChI=1S/C16H22N2O2S/c1-20-15-7-3-2-6-14(15)18-9-4-5-13(16(18)19)17-12-8-10-21-11-12/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3/t12-,13-/m1/s1
InChIKeyQWZJWVIAXGSTMV-CHWSQXEVSA-N
MW306.43 g/mol
LogP2.29
Rot. Bonds4

About (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one

(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one (PubChem CID 97322605) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
PubChem CID97322605
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
SMILESCOc1ccccc1N1CCC[C@@H](N[C@@H]2CCSC2)C1=O
InChIInChI=1S/C16H22N2O2S/c1-20-15-7-3-2-6-14(15)18-9-4-5-13(16(18)19)17-12-8-10-21-11-12/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3/t12-,13-/m1/s1
InChIKeyQWZJWVIAXGSTMV-CHWSQXEVSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950
(3S)-3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-1-(2-methoxyphenyl)piperidin-2-one
CID 129446348
(3S)-3-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-1-(2-methoxyphenyl)piperidin-2-one
CID 129446347
(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
CID 125450904
3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one
CID 75372113
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521
1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one
CID 167951808
methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate
CID 99836421
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 99809079

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one?
The IUPAC name of (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one (CID 97322605) is (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one.
What is the SMILES notation for (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one?
The canonical SMILES for (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one is COc1ccccc1N1CCC[C@@H](N[C@@H]2CCSC2)C1=O.
What is the InChIKey of (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one?
The InChIKey is QWZJWVIAXGSTMV-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-20-15-7-3-2-6-14(15)18-9-4-5-13(16(18)19)17-12-8-10-21-11-12/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one?
(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one has a molecular weight of 306.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one is sourced from PubChem (CID 97322605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).