3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide

C13H26N2O — CID 114955766

IUPAC3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
SMILESCC1CCNCC1CNC(=O)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10-5-6-14-8-11(10)9-15-12(16)7-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyAZUDMHJELTXQPO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds3

About 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide

3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide (PubChem CID 114955766) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
PubChem CID114955766
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
SMILESCC1CCNCC1CNC(=O)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10-5-6-14-8-11(10)9-15-12(16)7-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyAZUDMHJELTXQPO-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
2-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955699
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955807
3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide
CID 103019709
N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide
CID 114955778
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]pentanamide
CID 114955742
N-[(4-methylpiperidin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114955706
N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 114955817
N-[(4-methylpiperidin-3-yl)methyl]-3-(oxan-2-yl)propanamide
CID 114955758
3-(2,2-dimethylpropyl)-4-methylpiperidine
CID 164775462
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114955797

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide (CID 114955766) is 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide is CC1CCNCC1CNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide?
The InChIKey is AZUDMHJELTXQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-5-6-14-8-11(10)9-15-12(16)7-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide?
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide is sourced from PubChem (CID 114955766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).