3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide

C13H18N2O2S — CID 3226714

IUPAC3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C13H18N2O2S/c1-18-12-6-4-10(5-7-12)14-13(17)15-8-2-3-11(16)9-15/h4-7,11,16H,2-3,8-9H2,1H3,(H,14,17)
InChIKeyZDVDOLHPFARUCM-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.40
Rot. Bonds2

About 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide

3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide (PubChem CID 3226714) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
PubChem CID3226714
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C13H18N2O2S/c1-18-12-6-4-10(5-7-12)14-13(17)15-8-2-3-11(16)9-15/h4-7,11,16H,2-3,8-9H2,1H3,(H,14,17)
InChIKeyZDVDOLHPFARUCM-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide (CID 3226714) is 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide is CSc1ccc(NC(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide?
The InChIKey is ZDVDOLHPFARUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-18-12-6-4-10(5-7-12)14-13(17)15-8-2-3-11(16)9-15/h4-7,11,16H,2-3,8-9H2,1H3,(H,14,17).
What are the key properties of 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide?
3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3226714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).