N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide

C13H26N2O — CID 17250345

IUPACN-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide
SMILESCCN1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-15-8-6-11(7-9-15)14-12(16)10-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyJKWLJCCBLBIOKK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide

N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide (PubChem CID 17250345) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide
PubChem CID17250345
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide
SMILESCCN1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-15-8-6-11(7-9-15)14-12(16)10-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyJKWLJCCBLBIOKK-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide (CID 17250345) is N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide is CCN1CCC(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide?
The InChIKey is JKWLJCCBLBIOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-15-8-6-11(7-9-15)14-12(16)10-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide?
N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 17250345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).