4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide

C14H25N3OS — CID 107161559

IUPAC4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H25N3OS/c1-14(13(15)19)5-9-16(10-6-14)11-12(18)17-7-3-2-4-8-17/h2-11H2,1H3,(H2,15,19)
InChIKeyJMJAATKOBLRAGC-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.39
Rot. Bonds3

About 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide

4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide (PubChem CID 107161559) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
PubChem CID107161559
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H25N3OS/c1-14(13(15)19)5-9-16(10-6-14)11-12(18)17-7-3-2-4-8-17/h2-11H2,1H3,(H2,15,19)
InChIKeyJMJAATKOBLRAGC-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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Related Compounds

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone
CID 107160703
1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304923
2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-cycloheptylacetamide
CID 107161620
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
2-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanethioamide
CID 63342451
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide
CID 107161623
4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide
CID 107161141
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119833997

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide?
The IUPAC name of 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide (CID 107161559) is 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide.
What is the SMILES notation for 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide?
The canonical SMILES for 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide is CC1(C(N)=S)CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide?
The InChIKey is JMJAATKOBLRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-14(13(15)19)5-9-16(10-6-14)11-12(18)17-7-3-2-4-8-17/h2-11H2,1H3,(H2,15,19).
What are the key properties of 4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide?
4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)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-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide is sourced from PubChem (CID 107161559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).