1-pentylpiperidine-2-carboxamide

C11H22N2O — CID 68558294

IUPAC1-pentylpiperidine-2-carboxamide
SMILESCCCCCN1CCCCC1C(N)=O
InChIInChI=1S/C11H22N2O/c1-2-3-5-8-13-9-6-4-7-10(13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyDEXJIXQCSZJVDT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.52
Rot. Bonds5

About 1-pentylpiperidine-2-carboxamide

1-pentylpiperidine-2-carboxamide (PubChem CID 68558294) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-pentylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-pentylpiperidine-2-carboxamide
PubChem CID68558294
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-pentylpiperidine-2-carboxamide
SMILESCCCCCN1CCCCC1C(N)=O
InChIInChI=1S/C11H22N2O/c1-2-3-5-8-13-9-6-4-7-10(13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyDEXJIXQCSZJVDT-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentylpiperidine-2-carboxamide?
The IUPAC name of 1-pentylpiperidine-2-carboxamide (CID 68558294) is 1-pentylpiperidine-2-carboxamide.
What is the SMILES notation for 1-pentylpiperidine-2-carboxamide?
The canonical SMILES for 1-pentylpiperidine-2-carboxamide is CCCCCN1CCCCC1C(N)=O.
What is the InChIKey of 1-pentylpiperidine-2-carboxamide?
The InChIKey is DEXJIXQCSZJVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-5-8-13-9-6-4-7-10(13)11(12)14/h10H,2-9H2,1H3,(H2,12,14).
What are the key properties of 1-pentylpiperidine-2-carboxamide?
1-pentylpiperidine-2-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperidine-2-carboxamide is sourced from PubChem (CID 68558294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).