2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide

C12H24N2O — CID 16895339

IUPAC2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(15)13-9-10-5-7-14(4)8-6-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyCKZSZZQRPXSDFH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds2

About 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide

2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide (PubChem CID 16895339) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
PubChem CID16895339
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(15)13-9-10-5-7-14(4)8-6-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyCKZSZZQRPXSDFH-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide (CID 16895339) is 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide is CN1CCC(CNC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The InChIKey is CKZSZZQRPXSDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)11(15)13-9-10-5-7-14(4)8-6-10/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 16895339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).