4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide

C15H20N2O2S — CID 107227391

IUPAC4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide
SMILESNC(=S)c1ccc(C(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C15H20N2O2S/c16-14(20)12-3-5-13(6-4-12)15(19)17-8-1-2-11(10-17)7-9-18/h3-6,11,18H,1-2,7-10H2,(H2,16,20)
InChIKeyRBXARKNHCSIKDL-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.56
Rot. Bonds4

About 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide

4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide (PubChem CID 107227391) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide
PubChem CID107227391
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide
SMILESNC(=S)c1ccc(C(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C15H20N2O2S/c16-14(20)12-3-5-13(6-4-12)15(19)17-8-1-2-11(10-17)7-9-18/h3-6,11,18H,1-2,7-10H2,(H2,16,20)
InChIKeyRBXARKNHCSIKDL-UHFFFAOYSA-N
XLogP1.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
4-(3-propylpiperidine-1-carbonyl)benzamide
CID 119163399
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371633
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide?
The IUPAC name of 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide (CID 107227391) is 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide?
The canonical SMILES for 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide is NC(=S)c1ccc(C(=O)N2CCCC(CCO)C2)cc1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide?
The InChIKey is RBXARKNHCSIKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-14(20)12-3-5-13(6-4-12)15(19)17-8-1-2-11(10-17)7-9-18/h3-6,11,18H,1-2,7-10H2,(H2,16,20).
What are the key properties of 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide?
4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide has a molecular weight of 292.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide is sourced from PubChem (CID 107227391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).