(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide

C17H23FN2O2S — CID 97330646

IUPAC(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide
SMILESCc1ccc(F)c(N2CCC[C@@H](NC(=O)[C@]3(O)CCSC3)C2)c1
InChIInChI=1S/C17H23FN2O2S/c1-12-4-5-14(18)15(9-12)20-7-2-3-13(10-20)19-16(21)17(22)6-8-23-11-17/h4-5,9,13,22H,2-3,6-8,10-11H2,1H3,(H,19,21)/t13-,17+/m1/s1
InChIKeyQUMBTHJEKJQXJB-DYVFJYSZSA-N
MW338.45 g/mol
LogP2.09
Rot. Bonds3

About (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide

(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide (PubChem CID 97330646) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide
PubChem CID97330646
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide
SMILESCc1ccc(F)c(N2CCC[C@@H](NC(=O)[C@]3(O)CCSC3)C2)c1
InChIInChI=1S/C17H23FN2O2S/c1-12-4-5-14(18)15(9-12)20-7-2-3-13(10-20)19-16(21)17(22)6-8-23-11-17/h4-5,9,13,22H,2-3,6-8,10-11H2,1H3,(H,19,21)/t13-,17+/m1/s1
InChIKeyQUMBTHJEKJQXJB-DYVFJYSZSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide 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

2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
CID 86965351
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
3-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
CID 97069908
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-methyl-3-nitrobenzamide
CID 86965404

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide?
The IUPAC name of (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide (CID 97330646) is (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide is Cc1ccc(F)c(N2CCC[C@@H](NC(=O)[C@]3(O)CCSC3)C2)c1.
What is the InChIKey of (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide?
The InChIKey is QUMBTHJEKJQXJB-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-12-4-5-14(18)15(9-12)20-7-2-3-13(10-20)19-16(21)17(22)6-8-23-11-17/h4-5,9,13,22H,2-3,6-8,10-11H2,1H3,(H,19,21)/t13-,17+/m1/s1.
What are the key properties of (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide?
(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide is sourced from PubChem (CID 97330646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).