6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide

C23H44N2O — CID 174650133

IUPAC6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide
SMILESC=CCN1CCC(NC(=O)CCCCC(C)CCCCCCCC)CC1
InChIInChI=1S/C23H44N2O/c1-4-6-7-8-9-10-13-21(3)14-11-12-15-23(26)24-22-16-19-25(18-5-2)20-17-22/h5,21-22H,2,4,6-20H2,1,3H3,(H,24,26)
InChIKeyPPOBOMPKHGETEZ-UHFFFAOYSA-N
MW364.62 g/mol
LogP5.70
Rot. Bonds15

About 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide

6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide (PubChem CID 174650133) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide.

Molecular Properties

Compound Name6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide
PubChem CID174650133
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide
SMILESC=CCN1CCC(NC(=O)CCCCC(C)CCCCCCCC)CC1
InChIInChI=1S/C23H44N2O/c1-4-6-7-8-9-10-13-21(3)14-11-12-15-23(26)24-22-16-19-25(18-5-2)20-17-22/h5,21-22H,2,4,6-20H2,1,3H3,(H,24,26)
InChIKeyPPOBOMPKHGETEZ-UHFFFAOYSA-N
XLogP5.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide?
The IUPAC name of 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide (CID 174650133) is 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide.
What is the SMILES notation for 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide?
The canonical SMILES for 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide is C=CCN1CCC(NC(=O)CCCCC(C)CCCCCCCC)CC1.
What is the InChIKey of 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide?
The InChIKey is PPOBOMPKHGETEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-4-6-7-8-9-10-13-21(3)14-11-12-15-23(26)24-22-16-19-25(18-5-2)20-17-22/h5,21-22H,2,4,6-20H2,1,3H3,(H,24,26).
What are the key properties of 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide?
6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide has a molecular weight of 364.62 g/mol, XLogP of 5.70, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)tetradecanamide is sourced from PubChem (CID 174650133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).