N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide

C19H20N2O3S — CID 108554761

IUPACN-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESO=C(NC1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1S
InChIInChI=1S/C19H20N2O3S/c22-15-5-3-4-13(12-15)19(24)21-10-8-14(9-11-21)20-18(23)16-6-1-2-7-17(16)25/h1-7,12,14,22,25H,8-11H2,(H,20,23)
InChIKeyJLZKUQAZACKCLI-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.72
Rot. Bonds3

About N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide

N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide (PubChem CID 108554761) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
PubChem CID108554761
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESO=C(NC1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1S
InChIInChI=1S/C19H20N2O3S/c22-15-5-3-4-13(12-15)19(24)21-10-8-14(9-11-21)20-18(23)16-6-1-2-7-17(16)25/h1-7,12,14,22,25H,8-11H2,(H,20,23)
InChIKeyJLZKUQAZACKCLI-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554693
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide (CID 108554761) is N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide is O=C(NC1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1S.
What is the InChIKey of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The InChIKey is JLZKUQAZACKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-15-5-3-4-13(12-15)19(24)21-10-8-14(9-11-21)20-18(23)16-6-1-2-7-17(16)25/h1-7,12,14,22,25H,8-11H2,(H,20,23).
What are the key properties of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide?
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide has a molecular weight of 356.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 108554761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).