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

C25H48N2O — CID 174637997

IUPAC6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide
SMILESC=CCN1CCC(NC(=O)CCCCC(C)CCCCCCCCCC)CC1
InChIInChI=1S/C25H48N2O/c1-4-6-7-8-9-10-11-12-15-23(3)16-13-14-17-25(28)26-24-18-21-27(20-5-2)22-19-24/h5,23-24H,2,4,6-22H2,1,3H3,(H,26,28)
InChIKeyNGMNRDIAUBFCBN-UHFFFAOYSA-N
MW392.67 g/mol
LogP6.48
Rot. Bonds17

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

6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide (PubChem CID 174637997) has the molecular formula C25H48N2O and a molecular weight of 392.67 g/mol. Its IUPAC name is 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide.

Molecular Properties

Compound Name6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide
PubChem CID174637997
Molecular FormulaC25H48N2O
Molecular Weight392.67 g/mol
Exact Mass392.38
IUPAC Name6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide
SMILESC=CCN1CCC(NC(=O)CCCCC(C)CCCCCCCCCC)CC1
InChIInChI=1S/C25H48N2O/c1-4-6-7-8-9-10-11-12-15-23(3)16-13-14-17-25(28)26-24-18-21-27(20-5-2)22-19-24/h5,23-24H,2,4,6-22H2,1,3H3,(H,26,28)
InChIKeyNGMNRDIAUBFCBN-UHFFFAOYSA-N
XLogP6.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 56.48
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)hexadecanamide?
The IUPAC name of 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide (CID 174637997) is 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide.
What is the SMILES notation for 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide?
The canonical SMILES for 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide is C=CCN1CCC(NC(=O)CCCCC(C)CCCCCCCCCC)CC1.
What is the InChIKey of 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide?
The InChIKey is NGMNRDIAUBFCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O/c1-4-6-7-8-9-10-11-12-15-23(3)16-13-14-17-25(28)26-24-18-21-27(20-5-2)22-19-24/h5,23-24H,2,4,6-22H2,1,3H3,(H,26,28).
What are the key properties of 6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide?
6-methyl-N-(1-prop-2-enylpiperidin-4-yl)hexadecanamide has a molecular weight of 392.67 g/mol, XLogP of 6.48, 17 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)hexadecanamide is sourced from PubChem (CID 174637997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).