3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide

C13H26N2O — CID 24697478

IUPAC3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide
SMILESCC(C)(C)CC(=O)NCCC1CCCCN1
InChIInChI=1S/C13H26N2O/c1-13(2,3)10-12(16)15-9-7-11-6-4-5-8-14-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyIHNMRCRRIFOVJZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds4

About 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide

3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide (PubChem CID 24697478) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide
PubChem CID24697478
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide
SMILESCC(C)(C)CC(=O)NCCC1CCCCN1
InChIInChI=1S/C13H26N2O/c1-13(2,3)10-12(16)15-9-7-11-6-4-5-8-14-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyIHNMRCRRIFOVJZ-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-(2-cyclohexylethyl)-3-piperidin-2-ylpropanamide
CID 62210016
N-(2-piperidin-2-ylethyl)octanamide
CID 43125232
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
5-methyl-N-(2-piperidin-2-ylethyl)hex-5-enamide
CID 144920966
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
N-(2-cyclohexylethyl)-2-piperidin-2-ylacetamide
CID 54932758
3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride
CID 119512367
5-methyl-N-(2-piperidin-2-ylethyl)oxolane-2-carboxamide
CID 81330711
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
2-methyl-N-(2-piperidin-2-ylethyl)propan-2-amine
CID 58843832

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide (CID 24697478) is 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide is CC(C)(C)CC(=O)NCCC1CCCCN1.
What is the InChIKey of 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide?
The InChIKey is IHNMRCRRIFOVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)10-12(16)15-9-7-11-6-4-5-8-14-11/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide?
3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide is sourced from PubChem (CID 24697478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).