1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide

C14H19N3O2S — CID 81306580

IUPAC1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(N)=S)c(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H19N3O2S/c1-19-10-2-3-11(14(16)20)12(8-10)17-6-4-9(5-7-17)13(15)18/h2-3,8-9H,4-7H2,1H3,(H2,15,18)(H2,16,20)
InChIKeyDRRXAQMDKYNGAN-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.03
Rot. Bonds4

About 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide

1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 81306580) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide
PubChem CID81306580
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(N)=S)c(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H19N3O2S/c1-19-10-2-3-11(14(16)20)12(8-10)17-6-4-9(5-7-17)13(15)18/h2-3,8-9H,4-7H2,1H3,(H2,15,18)(H2,16,20)
InChIKeyDRRXAQMDKYNGAN-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-4-carboxamide?
The IUPAC name of 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide (CID 81306580) is 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(C(N)=S)c(N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is DRRXAQMDKYNGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-19-10-2-3-11(14(16)20)12(8-10)17-6-4-9(5-7-17)13(15)18/h2-3,8-9H,4-7H2,1H3,(H2,15,18)(H2,16,20).
What are the key properties of 1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide?
1-(2-carbamothioyl-5-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.03, 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-4-carboxamide is sourced from PubChem (CID 81306580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).