N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane

C15H32N2O — CID 142327060

IUPACN-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-12(2,3)10-11(16)14-13(4)6-8-15(5)9-7-13;1-2/h6-10H2,1-5H3,(H,14,16);1-2H3
InChIKeyWSWNIJIERXSLOG-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.05
Rot. Bonds2

About N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane

N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane (PubChem CID 142327060) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane
PubChem CID142327060
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-12(2,3)10-11(16)14-13(4)6-8-15(5)9-7-13;1-2/h6-10H2,1-5H3,(H,14,16);1-2H3
InChIKeyWSWNIJIERXSLOG-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane (CID 142327060) is N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane is CC.CN1CCC(C)(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane?
The InChIKey is WSWNIJIERXSLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-12(2,3)10-11(16)14-13(4)6-8-15(5)9-7-13;1-2/h6-10H2,1-5H3,(H,14,16);1-2H3.
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane?
N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane has a molecular weight of 256.43 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane is sourced from PubChem (CID 142327060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).