1-heptylpiperidine-3-carboxamide

C13H26N2O — CID 4107524

IUPAC1-heptylpiperidine-3-carboxamide
SMILESCCCCCCCN1CCCC(C(N)=O)C1
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-9-15-10-7-8-12(11-15)13(14)16/h12H,2-11H2,1H3,(H2,14,16)
InChIKeyBGQZAHIRBZUDOL-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds7

About 1-heptylpiperidine-3-carboxamide

1-heptylpiperidine-3-carboxamide (PubChem CID 4107524) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-heptylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-heptylpiperidine-3-carboxamide
PubChem CID4107524
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-heptylpiperidine-3-carboxamide
SMILESCCCCCCCN1CCCC(C(N)=O)C1
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-9-15-10-7-8-12(11-15)13(14)16/h12H,2-11H2,1H3,(H2,14,16)
InChIKeyBGQZAHIRBZUDOL-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
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-heptylpiperidine-3-carboxamide?
The IUPAC name of 1-heptylpiperidine-3-carboxamide (CID 4107524) is 1-heptylpiperidine-3-carboxamide.
What is the SMILES notation for 1-heptylpiperidine-3-carboxamide?
The canonical SMILES for 1-heptylpiperidine-3-carboxamide is CCCCCCCN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-heptylpiperidine-3-carboxamide?
The InChIKey is BGQZAHIRBZUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-4-5-6-9-15-10-7-8-12(11-15)13(14)16/h12H,2-11H2,1H3,(H2,14,16).
What are the key properties of 1-heptylpiperidine-3-carboxamide?
1-heptylpiperidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylpiperidine-3-carboxamide is sourced from PubChem (CID 4107524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).