2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide

C21H42N2O — CID 67680706

IUPAC2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide
SMILESCCCCCCCCCCCC(C)(C)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C21H42N2O/c1-4-5-6-7-8-9-10-11-12-15-21(2,3)23-16-13-19(14-17-23)18-20(22)24/h19H,4-18H2,1-3H3,(H2,22,24)
InChIKeyVIWQHLUODWCDSW-UHFFFAOYSA-N
MW338.58 g/mol
LogP5.27
Rot. Bonds13

About 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide

2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide (PubChem CID 67680706) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide
PubChem CID67680706
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide
SMILESCCCCCCCCCCCC(C)(C)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C21H42N2O/c1-4-5-6-7-8-9-10-11-12-15-21(2,3)23-16-13-19(14-17-23)18-20(22)24/h19H,4-18H2,1-3H3,(H2,22,24)
InChIKeyVIWQHLUODWCDSW-UHFFFAOYSA-N
XLogP5.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.27
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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Related Compounds

1-(2-methylnonan-2-yl)pyrrolidin-3-amine
CID 130338700
1-(1-tert-butylpiperidin-4-yl)hexan-2-one
CID 148889148
2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide
CID 65005472
1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-[1-(5-hydroxypentyl)piperidin-4-yl]acetamide
CID 62228799
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride
CID 119727585
2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 169091321
4-methyl-4-pentyldecanamide
CID 155082374

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide (CID 67680706) is 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide is CCCCCCCCCCCC(C)(C)N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide?
The InChIKey is VIWQHLUODWCDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-4-5-6-7-8-9-10-11-12-15-21(2,3)23-16-13-19(14-17-23)18-20(22)24/h19H,4-18H2,1-3H3,(H2,22,24).
What are the key properties of 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide?
2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide has a molecular weight of 338.58 g/mol, XLogP of 5.27, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 67680706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).