4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide

C14H18N2O2S — CID 114678581

IUPAC4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide
SMILESCC1CN(C(=O)c2ccc(C(N)=S)cc2)CCC1O
InChIInChI=1S/C14H18N2O2S/c1-9-8-16(7-6-12(9)17)14(18)11-4-2-10(3-5-11)13(15)19/h2-5,9,12,17H,6-8H2,1H3,(H2,15,19)
InChIKeyGOFSQEPJYRIBHC-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.16
Rot. Bonds2

About 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide

4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide (PubChem CID 114678581) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide
PubChem CID114678581
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide
SMILESCC1CN(C(=O)c2ccc(C(N)=S)cc2)CCC1O
InChIInChI=1S/C14H18N2O2S/c1-9-8-16(7-6-12(9)17)14(18)11-4-2-10(3-5-11)13(15)19/h2-5,9,12,17H,6-8H2,1H3,(H2,15,19)
InChIKeyGOFSQEPJYRIBHC-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.16
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

4-(3,4-dimethylpyrrolidine-1-carbonyl)benzenecarbothioamide
CID 79038709
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
(4-hydroxy-3-methylpiperidin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 114679797
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677517
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 114678333
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901069

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide?
The IUPAC name of 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide (CID 114678581) is 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide.
What is the SMILES notation for 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide?
The canonical SMILES for 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide is CC1CN(C(=O)c2ccc(C(N)=S)cc2)CCC1O.
What is the InChIKey of 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide?
The InChIKey is GOFSQEPJYRIBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-8-16(7-6-12(9)17)14(18)11-4-2-10(3-5-11)13(15)19/h2-5,9,12,17H,6-8H2,1H3,(H2,15,19).
What are the key properties of 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide?
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide has a molecular weight of 278.38 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide is sourced from PubChem (CID 114678581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).