(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide

C16H22N2O3S — CID 40952898

IUPAC(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O3S/c19-16(13-8-11-22(20,21)12-13)17-14-4-6-15(7-5-14)18-9-2-1-3-10-18/h4-7,13H,1-3,8-12H2,(H,17,19)/t13-/m0/s1
InChIKeyQOXMVTXAAFBOJX-ZDUSSCGKSA-N
MW322.43 g/mol
LogP2.05
Rot. Bonds3

About (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide

(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide (PubChem CID 40952898) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
PubChem CID40952898
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O3S/c19-16(13-8-11-22(20,21)12-13)17-14-4-6-15(7-5-14)18-9-2-1-3-10-18/h4-7,13H,1-3,8-12H2,(H,17,19)/t13-/m0/s1
InChIKeyQOXMVTXAAFBOJX-ZDUSSCGKSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42335959
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
(3R)-1,1-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)thiolane-3-carboxamide
CID 9073816
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
1,1-dioxo-N-(4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 55025310
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 51199480
N-[4-(azepan-1-yl)phenyl]-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetamide
CID 22108504
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
1,1-dioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thiolane-3-carboxamide
CID 42932681
N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108964695
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide?
The IUPAC name of (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide (CID 40952898) is (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide.
What is the SMILES notation for (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide?
The canonical SMILES for (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide?
The InChIKey is QOXMVTXAAFBOJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(13-8-11-22(20,21)12-13)17-14-4-6-15(7-5-14)18-9-2-1-3-10-18/h4-7,13H,1-3,8-12H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide?
(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide is sourced from PubChem (CID 40952898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).