1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide

C13H18N4OS — CID 114288364

IUPAC1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cnccc1C(N)=S
InChIInChI=1S/C13H18N4OS/c1-8-2-3-9(12(14)18)7-17(8)11-6-16-5-4-10(11)13(15)19/h4-6,8-9H,2-3,7H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyNNOPGIBUKVHWKH-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.81
Rot. Bonds3

About 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide

1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide (PubChem CID 114288364) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
PubChem CID114288364
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cnccc1C(N)=S
InChIInChI=1S/C13H18N4OS/c1-8-2-3-9(12(14)18)7-17(8)11-6-16-5-4-10(11)13(15)19/h4-6,8-9H,2-3,7H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyNNOPGIBUKVHWKH-UHFFFAOYSA-N
XLogP0.81
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide
CID 113269552
1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 79513892
1-(5-amino-1H-pyrazol-4-yl)-6-methylpiperidine-3-carboxamide
CID 82235443
3-(3-methylpiperidin-1-yl)pyridine-4-carbothioamide
CID 114288015
(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 99857715
2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
CID 114845026
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide
CID 66064522
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 54988866
(3S,6R)-1-(6-ethoxypyrazin-2-yl)-6-methylpiperidine-3-carboxamide
CID 129446279
6-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxamide
CID 91651046

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide (CID 114288364) is 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1cnccc1C(N)=S.
What is the InChIKey of 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is NNOPGIBUKVHWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-2-3-9(12(14)18)7-17(8)11-6-16-5-4-10(11)13(15)19/h4-6,8-9H,2-3,7H2,1H3,(H2,14,18)(H2,15,19).
What are the key properties of 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide?
1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 114288364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).