4-methyl-N-octylpiperidine-1-carboxamide

C15H30N2O — CID 116657031

IUPAC4-methyl-N-octylpiperidine-1-carboxamide
SMILESCCCCCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyHAWIGYZAJFCXMR-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.79
Rot. Bonds7

About 4-methyl-N-octylpiperidine-1-carboxamide

4-methyl-N-octylpiperidine-1-carboxamide (PubChem CID 116657031) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-methyl-N-octylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-octylpiperidine-1-carboxamide
PubChem CID116657031
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-methyl-N-octylpiperidine-1-carboxamide
SMILESCCCCCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyHAWIGYZAJFCXMR-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-methyl-N-octylpiperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-octylpiperidine-1-carboxamide (CID 116657031) is 4-methyl-N-octylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-octylpiperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-octylpiperidine-1-carboxamide is CCCCCCCCNC(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-octylpiperidine-1-carboxamide?
The InChIKey is HAWIGYZAJFCXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18).
What are the key properties of 4-methyl-N-octylpiperidine-1-carboxamide?
4-methyl-N-octylpiperidine-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octylpiperidine-1-carboxamide is sourced from PubChem (CID 116657031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).