1-pentylpiperidine-4-carboxamide

C11H22N2O — CID 4184048

IUPAC1-pentylpiperidine-4-carboxamide
SMILESCCCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-4-7-13-8-5-10(6-9-13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyNXCOFHJBIIKZQQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds5

About 1-pentylpiperidine-4-carboxamide

1-pentylpiperidine-4-carboxamide (PubChem CID 4184048) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-pentylpiperidine-4-carboxamide
PubChem CID4184048
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-pentylpiperidine-4-carboxamide
SMILESCCCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-4-7-13-8-5-10(6-9-13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyNXCOFHJBIIKZQQ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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-4-carboxamide?
The IUPAC name of 1-pentylpiperidine-4-carboxamide (CID 4184048) is 1-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-pentylpiperidine-4-carboxamide is CCCCCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-pentylpiperidine-4-carboxamide?
The InChIKey is NXCOFHJBIIKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-4-7-13-8-5-10(6-9-13)11(12)14/h10H,2-9H2,1H3,(H2,12,14).
What are the key properties of 1-pentylpiperidine-4-carboxamide?
1-pentylpiperidine-4-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 4184048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).