1-octanoylpiperidine-3-carboxamide

C14H26N2O2 — CID 162657348

IUPAC1-octanoylpiperidine-3-carboxamide
SMILESCCCCCCCC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H26N2O2/c1-2-3-4-5-6-9-13(17)16-10-7-8-12(11-16)14(15)18/h12H,2-11H2,1H3,(H2,15,18)
InChIKeyQFCMKFNXNKBPSL-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.07
Rot. Bonds7

About 1-octanoylpiperidine-3-carboxamide

1-octanoylpiperidine-3-carboxamide (PubChem CID 162657348) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-octanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-octanoylpiperidine-3-carboxamide
PubChem CID162657348
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-octanoylpiperidine-3-carboxamide
SMILESCCCCCCCC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H26N2O2/c1-2-3-4-5-6-9-13(17)16-10-7-8-12(11-16)14(15)18/h12H,2-11H2,1H3,(H2,15,18)
InChIKeyQFCMKFNXNKBPSL-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.07
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-octanoylpiperidine-3-carboxamide?
The IUPAC name of 1-octanoylpiperidine-3-carboxamide (CID 162657348) is 1-octanoylpiperidine-3-carboxamide.
What is the SMILES notation for 1-octanoylpiperidine-3-carboxamide?
The canonical SMILES for 1-octanoylpiperidine-3-carboxamide is CCCCCCCC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-octanoylpiperidine-3-carboxamide?
The InChIKey is QFCMKFNXNKBPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-3-4-5-6-9-13(17)16-10-7-8-12(11-16)14(15)18/h12H,2-11H2,1H3,(H2,15,18).
What are the key properties of 1-octanoylpiperidine-3-carboxamide?
1-octanoylpiperidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octanoylpiperidine-3-carboxamide is sourced from PubChem (CID 162657348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).