N-methyl-N-(piperidin-3-ylmethyl)decanamide

C17H34N2O — CID 106627816

IUPACN-methyl-N-(piperidin-3-ylmethyl)decanamide
SMILESCCCCCCCCCC(=O)N(C)CC1CCCNC1
InChIInChI=1S/C17H34N2O/c1-3-4-5-6-7-8-9-12-17(20)19(2)15-16-11-10-13-18-14-16/h16,18H,3-15H2,1-2H3
InChIKeyBXBAIFLLOZMWRU-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.59
Rot. Bonds10

About N-methyl-N-(piperidin-3-ylmethyl)decanamide

N-methyl-N-(piperidin-3-ylmethyl)decanamide (PubChem CID 106627816) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)decanamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)decanamide
PubChem CID106627816
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)decanamide
SMILESCCCCCCCCCC(=O)N(C)CC1CCCNC1
InChIInChI=1S/C17H34N2O/c1-3-4-5-6-7-8-9-12-17(20)19(2)15-16-11-10-13-18-14-16/h16,18H,3-15H2,1-2H3
InChIKeyBXBAIFLLOZMWRU-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.59
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 N-methyl-N-(piperidin-3-ylmethyl)decanamide?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)decanamide (CID 106627816) is N-methyl-N-(piperidin-3-ylmethyl)decanamide.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)decanamide?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)decanamide is CCCCCCCCCC(=O)N(C)CC1CCCNC1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)decanamide?
The InChIKey is BXBAIFLLOZMWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-4-5-6-7-8-9-12-17(20)19(2)15-16-11-10-13-18-14-16/h16,18H,3-15H2,1-2H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)decanamide?
N-methyl-N-(piperidin-3-ylmethyl)decanamide has a molecular weight of 282.47 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)decanamide is sourced from PubChem (CID 106627816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).