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

C15H26N2O2S — CID 25369492

IUPAC(3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCCNC(=O)[C@@H]1CCC(=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)/t12-/m1/s1
InChIKeyAACHXFFSOTXEKR-GFCCVEGCSA-N
MW298.45 g/mol
LogP2.04
Rot. Bonds6

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

(3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 25369492) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID25369492
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name(3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCSCCCNC(=O)[C@@H]1CCC(=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)/t12-/m1/s1
InChIKeyAACHXFFSOTXEKR-GFCCVEGCSA-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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Related Compounds

1-cyclopentyl-N-[3-(methylthio)propyl]-6-oxo-3-piperidinecarboxamide
CID 45194130
1-cyclopentyl-N-[2-(methylthio)ethyl]-6-oxo-3-piperidinecarboxamide
CID 45209498
3-N,3-N-diethyl-1-N-(3-methylsulfanylpropyl)piperidine-1,3-dicarboxamide
CID 172434523
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
(3S)-1-[(1S,2R)-2-(methylsulfanylmethyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 172908538
(3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide
CID 172908553
1-(2-methoxyethyl)-N-[3-(methylthio)propyl]-6-oxo-3-piperidinecarboxamide
CID 45182901
1-cycloheptyl-N-[2-(methylthio)ethyl]-6-oxo-3-piperidinecarboxamide
CID 45195665
N-cyclopropyl-1'-[(methylthio)acetyl]-1,4'-bipiperidine-3-carboxamide
CID 45212800
1'-methyl-N-[3-(methylthio)propyl]-1,4'-bipiperidine-3-carboxamide
CID 45236177
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]tetrahydrothiophen-3-amine
CID 50949036
N-[2-(ethylthio)-1-methylethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropan-1-amine
CID 56721562

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide (CID 25369492) is (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide is CSCCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is AACHXFFSOTXEKR-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
(3R)-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 (3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25369492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).