1-(2-cyclobutylacetyl)piperidine-3-carbothioamide

C12H20N2OS — CID 103163717

IUPAC1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
SMILESNC(=S)C1CCCN(C(=O)CC2CCC2)C1
InChIInChI=1S/C12H20N2OS/c13-12(16)10-5-2-6-14(8-10)11(15)7-9-3-1-4-9/h9-10H,1-8H2,(H2,13,16)
InChIKeyJBGXGIZWYMFBCC-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide

1-(2-cyclobutylacetyl)piperidine-3-carbothioamide (PubChem CID 103163717) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide.

Molecular Properties

Compound Name1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
PubChem CID103163717
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
SMILESNC(=S)C1CCCN(C(=O)CC2CCC2)C1
InChIInChI=1S/C12H20N2OS/c13-12(16)10-5-2-6-14(8-10)11(15)7-9-3-1-4-9/h9-10H,1-8H2,(H2,13,16)
InChIKeyJBGXGIZWYMFBCC-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
CID 104928900
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
1-(2-cyclopentylacetyl)-N-cyclopropylpiperidine-3-carboxamide
CID 71935025
1-(3-bromopiperidin-1-yl)-2-cyclohexylethanone
CID 80661364
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
1-(4-methoxypentanoyl)piperidine-3-carbothioamide
CID 113382163
1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119167914
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide?
The IUPAC name of 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide (CID 103163717) is 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide.
What is the SMILES notation for 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide?
The canonical SMILES for 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide is NC(=S)C1CCCN(C(=O)CC2CCC2)C1.
What is the InChIKey of 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide?
The InChIKey is JBGXGIZWYMFBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c13-12(16)10-5-2-6-14(8-10)11(15)7-9-3-1-4-9/h9-10H,1-8H2,(H2,13,16).
What are the key properties of 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide?
1-(2-cyclobutylacetyl)piperidine-3-carbothioamide has a molecular weight of 240.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylacetyl)piperidine-3-carbothioamide is sourced from PubChem (CID 103163717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).