7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane

C16H34N2O — CID 176680296

IUPAC7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
SMILESCC.CC1(C)CCCN(CCCCCCC(N)=O)C1
InChIInChI=1S/C14H28N2O.C2H6/c1-14(2)9-7-11-16(12-14)10-6-4-3-5-8-13(15)17;1-2/h3-12H2,1-2H3,(H2,15,17);1-2H3
InChIKeySXPQGUYAMXFRBJ-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.57
Rot. Bonds7

About 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane

7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane (PubChem CID 176680296) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane.

Molecular Properties

Compound Name7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
PubChem CID176680296
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
SMILESCC.CC1(C)CCCN(CCCCCCC(N)=O)C1
InChIInChI=1S/C14H28N2O.C2H6/c1-14(2)9-7-11-16(12-14)10-6-4-3-5-8-13(15)17;1-2/h3-12H2,1-2H3,(H2,15,17);1-2H3
InChIKeySXPQGUYAMXFRBJ-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.57
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

6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
11-pyrrolidin-1-ylundecanamide
CID 175975624
4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide
CID 97131483
5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 65259698
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide
CID 122095647
4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid
CID 119139251
5-(4,4-dimethylazepan-1-yl)pentan-2-one
CID 65282476
4-(4-methyl-1,4-diazepan-1-yl)butanamide
CID 175411586
5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564242
5-(4-hydroxy-4-methylazepan-1-yl)pentanoic acid
CID 107405145

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane?
The IUPAC name of 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane (CID 176680296) is 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane.
What is the SMILES notation for 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane?
The canonical SMILES for 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane is CC.CC1(C)CCCN(CCCCCCC(N)=O)C1.
What is the InChIKey of 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane?
The InChIKey is SXPQGUYAMXFRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.C2H6/c1-14(2)9-7-11-16(12-14)10-6-4-3-5-8-13(15)17;1-2/h3-12H2,1-2H3,(H2,15,17);1-2H3.
What are the key properties of 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane?
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane has a molecular weight of 270.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane is sourced from PubChem (CID 176680296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).