1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide

C15H26N2O2S — CID 45194130

IUPAC1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCCNC(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H26N2O2S/c1-20-10-4-9-16-15(19)12-7-8-14(18)17(11-12)13-5-2-3-6-13/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyAACHXFFSOTXEKR-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.04
Rot. Bonds6

About 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide

1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45194130) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID45194130
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCCNC(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H26N2O2S/c1-20-10-4-9-16-15(19)12-7-8-14(18)17(11-12)13-5-2-3-6-13/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyAACHXFFSOTXEKR-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.04
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-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide (CID 45194130) is 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide is CSCCCNC(=O)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is AACHXFFSOTXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-20-10-4-9-16-15(19)12-7-8-14(18)17(11-12)13-5-2-3-6-13/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 298.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45194130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).