N-butyl-2-oxopiperidine-3-carboxamide

C10H18N2O2 — CID 4141439

IUPACN-butyl-2-oxopiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCNC1=O
InChIInChI=1S/C10H18N2O2/c1-2-3-6-11-9(13)8-5-4-7-12-10(8)14/h8H,2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyTWRNPXFEVKTHKK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.43
Rot. Bonds4

About N-butyl-2-oxopiperidine-3-carboxamide

N-butyl-2-oxopiperidine-3-carboxamide (PubChem CID 4141439) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-butyl-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-oxopiperidine-3-carboxamide
PubChem CID4141439
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-butyl-2-oxopiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCNC1=O
InChIInChI=1S/C10H18N2O2/c1-2-3-6-11-9(13)8-5-4-7-12-10(8)14/h8H,2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyTWRNPXFEVKTHKK-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-butyl-2-oxopiperidine-3-carboxamide (CID 4141439) is N-butyl-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-butyl-2-oxopiperidine-3-carboxamide is CCCCNC(=O)C1CCCNC1=O.
What is the InChIKey of N-butyl-2-oxopiperidine-3-carboxamide?
The InChIKey is TWRNPXFEVKTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-6-11-9(13)8-5-4-7-12-10(8)14/h8H,2-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-butyl-2-oxopiperidine-3-carboxamide?
N-butyl-2-oxopiperidine-3-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 4141439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).