1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide

C14H24N2O2S — CID 45209498

IUPAC1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCNC(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H24N2O2S/c1-19-9-8-15-14(18)11-6-7-13(17)16(10-11)12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyUSETUKODNTVBRK-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.65
Rot. Bonds5

About 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide

1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45209498) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID45209498
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCNC(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H24N2O2S/c1-19-9-8-15-14(18)11-6-7-13(17)16(10-11)12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyUSETUKODNTVBRK-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide (CID 45209498) is 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide is CSCCNC(=O)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is USETUKODNTVBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-19-9-8-15-14(18)11-6-7-13(17)16(10-11)12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 284.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45209498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).