2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide

C19H31N3O — CID 134435036

IUPAC2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN1CCC(Cc2ccccc2)(CN(C)CC(=O)N(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-20(2)18(23)15-22(4)16-19(10-12-21(3)13-11-19)14-17-8-6-5-7-9-17/h5-9H,10-16H2,1-4H3
InChIKeyUZBFHTQWOQNGPB-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.96
Rot. Bonds6

About 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide

2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 134435036) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide
PubChem CID134435036
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN1CCC(Cc2ccccc2)(CN(C)CC(=O)N(C)C)CC1
InChIInChI=1S/C19H31N3O/c1-20(2)18(23)15-22(4)16-19(10-12-21(3)13-11-19)14-17-8-6-5-7-9-17/h5-9H,10-16H2,1-4H3
InChIKeyUZBFHTQWOQNGPB-UHFFFAOYSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide (CID 134435036) is 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide is CN1CCC(Cc2ccccc2)(CN(C)CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is UZBFHTQWOQNGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-20(2)18(23)15-22(4)16-19(10-12-21(3)13-11-19)14-17-8-6-5-7-9-17/h5-9H,10-16H2,1-4H3.
What are the key properties of 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 317.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 134435036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).