1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide

C14H19N3O2S — CID 81306763

IUPAC1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(C(N)=S)c(N2CCCCC2C(N)=O)c1
InChIInChI=1S/C14H19N3O2S/c1-19-9-5-6-10(14(16)20)12(8-9)17-7-3-2-4-11(17)13(15)18/h5-6,8,11H,2-4,7H2,1H3,(H2,15,18)(H2,16,20)
InChIKeyVXRCFQVJWDKHAA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.17
Rot. Bonds4

About 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide

1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide (PubChem CID 81306763) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide
PubChem CID81306763
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(C(N)=S)c(N2CCCCC2C(N)=O)c1
InChIInChI=1S/C14H19N3O2S/c1-19-9-5-6-10(14(16)20)12(8-9)17-7-3-2-4-11(17)13(15)18/h5-6,8,11H,2-4,7H2,1H3,(H2,15,18)(H2,16,20)
InChIKeyVXRCFQVJWDKHAA-UHFFFAOYSA-N
XLogP1.17
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide (CID 81306763) is 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide is COc1ccc(C(N)=S)c(N2CCCCC2C(N)=O)c1.
What is the InChIKey of 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide?
The InChIKey is VXRCFQVJWDKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-19-9-5-6-10(14(16)20)12(8-9)17-7-3-2-4-11(17)13(15)18/h5-6,8,11H,2-4,7H2,1H3,(H2,15,18)(H2,16,20).
What are the key properties of 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide?
1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 81306763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).