ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide

C13H24N2O3 — CID 142439240

IUPACethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide
SMILESCC.CC1(NC(=O)C2C(=O)NCCC2O)CCC1
InChIInChI=1S/C11H18N2O3.C2H6/c1-11(4-2-5-11)13-10(16)8-7(14)3-6-12-9(8)15;1-2/h7-8,14H,2-6H2,1H3,(H,12,15)(H,13,16);1-2H3
InChIKeyRNRJATSKYOLVMV-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.57
Rot. Bonds2

About ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide

ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide (PubChem CID 142439240) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Nameethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide
PubChem CID142439240
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide
SMILESCC.CC1(NC(=O)C2C(=O)NCCC2O)CCC1
InChIInChI=1S/C11H18N2O3.C2H6/c1-11(4-2-5-11)13-10(16)8-7(14)3-6-12-9(8)15;1-2/h7-8,14H,2-6H2,1H3,(H,12,15)(H,13,16);1-2H3
InChIKeyRNRJATSKYOLVMV-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide (CID 142439240) is ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide is CC.CC1(NC(=O)C2C(=O)NCCC2O)CCC1.
What is the InChIKey of ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is RNRJATSKYOLVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.C2H6/c1-11(4-2-5-11)13-10(16)8-7(14)3-6-12-9(8)15;1-2/h7-8,14H,2-6H2,1H3,(H,12,15)(H,13,16);1-2H3.
What are the key properties of ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide?
ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142439240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).