4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide

C14H25N3OS — CID 107161623

IUPAC4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide
SMILESCC(C(=O)N1CCCC1)N1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C14H25N3OS/c1-11(12(18)17-7-3-4-8-17)16-9-5-14(2,6-10-16)13(15)19/h11H,3-10H2,1-2H3,(H2,15,19)
InChIKeyTWZJIXYOJNQJPR-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.39
Rot. Bonds3

About 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide

4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide (PubChem CID 107161623) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide
PubChem CID107161623
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide
SMILESCC(C(=O)N1CCCC1)N1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C14H25N3OS/c1-11(12(18)17-7-3-4-8-17)16-9-5-14(2,6-10-16)13(15)19/h11H,3-10H2,1-2H3,(H2,15,19)
InChIKeyTWZJIXYOJNQJPR-UHFFFAOYSA-N
XLogP1.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide?
The IUPAC name of 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide (CID 107161623) is 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide.
What is the SMILES notation for 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide?
The canonical SMILES for 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide is CC(C(=O)N1CCCC1)N1CCC(C)(C(N)=S)CC1.
What is the InChIKey of 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide?
The InChIKey is TWZJIXYOJNQJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(12(18)17-7-3-4-8-17)16-9-5-14(2,6-10-16)13(15)19/h11H,3-10H2,1-2H3,(H2,15,19).
What are the key properties of 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide?
4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide has a molecular weight of 283.44 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide is sourced from PubChem (CID 107161623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).