N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide

C24H48N2O — CID 11100967

IUPACN-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide
SMILESCCCCCCCCCCCCN1CCC(C(C)(C)CN(C)C(C)=O)CC1
InChIInChI=1S/C24H48N2O/c1-6-7-8-9-10-11-12-13-14-15-18-26-19-16-23(17-20-26)24(3,4)21-25(5)22(2)27/h23H,6-21H2,1-5H3
InChIKeyNKWNTUXEJRWRRG-UHFFFAOYSA-N
MW380.66 g/mol
LogP6.12
Rot. Bonds14

About N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide

N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide (PubChem CID 11100967) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide
PubChem CID11100967
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC NameN-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide
SMILESCCCCCCCCCCCCN1CCC(C(C)(C)CN(C)C(C)=O)CC1
InChIInChI=1S/C24H48N2O/c1-6-7-8-9-10-11-12-13-14-15-18-26-19-16-23(17-20-26)24(3,4)21-25(5)22(2)27/h23H,6-21H2,1-5H3
InChIKeyNKWNTUXEJRWRRG-UHFFFAOYSA-N
XLogP6.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 56.12
H-Bond Donors ≤ 50
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 N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide?
The IUPAC name of N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide (CID 11100967) is N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide?
The canonical SMILES for N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide is CCCCCCCCCCCCN1CCC(C(C)(C)CN(C)C(C)=O)CC1.
What is the InChIKey of N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide?
The InChIKey is NKWNTUXEJRWRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O/c1-6-7-8-9-10-11-12-13-14-15-18-26-19-16-23(17-20-26)24(3,4)21-25(5)22(2)27/h23H,6-21H2,1-5H3.
What are the key properties of N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide?
N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide has a molecular weight of 380.66 g/mol, XLogP of 6.12, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-dodecylpiperidin-4-yl)-2-methylpropyl]-N-methylacetamide is sourced from PubChem (CID 11100967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).