4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide

C14H24N2OS — CID 107161141

IUPAC4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide
SMILESCC1(C(=O)N2CCC(C)(C(N)=S)CC2)CCCC1
InChIInChI=1S/C14H24N2OS/c1-13(11(15)18)7-9-16(10-8-13)12(17)14(2)5-3-4-6-14/h3-10H2,1-2H3,(H2,15,18)
InChIKeyVZKVBPKRKBJWEJ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.48
Rot. Bonds2

About 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide

4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide (PubChem CID 107161141) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide
PubChem CID107161141
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide
SMILESCC1(C(=O)N2CCC(C)(C(N)=S)CC2)CCCC1
InChIInChI=1S/C14H24N2OS/c1-13(11(15)18)7-9-16(10-8-13)12(17)14(2)5-3-4-6-14/h3-10H2,1-2H3,(H2,15,18)
InChIKeyVZKVBPKRKBJWEJ-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.48
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

methyl 4-carbamothioyl-4-methylpiperidine-1-carboxylate
CID 107161220
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
CID 68759041
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
CID 78917556
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
4-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carbothioamide
CID 107161623
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
CID 107161559
1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 126980533
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
1-(4-methoxybutanoyl)-4-methylpiperidine-4-carbothioamide
CID 107161082
1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161017
1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161015

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide?
The IUPAC name of 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide (CID 107161141) is 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide.
What is the SMILES notation for 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide?
The canonical SMILES for 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide is CC1(C(=O)N2CCC(C)(C(N)=S)CC2)CCCC1.
What is the InChIKey of 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide?
The InChIKey is VZKVBPKRKBJWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(11(15)18)7-9-16(10-8-13)12(17)14(2)5-3-4-6-14/h3-10H2,1-2H3,(H2,15,18).
What are the key properties of 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide?
4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide has a molecular weight of 268.43 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide is sourced from PubChem (CID 107161141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).