2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide

C11H23N3O — CID 19845932

IUPAC2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCCC1CN(C)C
InChIInChI=1S/C11H23N3O/c1-12-11(15)9-14-7-5-4-6-10(14)8-13(2)3/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyYLYHBTLBYXXWDI-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.15
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide

2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 19845932) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide
PubChem CID19845932
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCCC1CN(C)C
InChIInChI=1S/C11H23N3O/c1-12-11(15)9-14-7-5-4-6-10(14)8-13(2)3/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyYLYHBTLBYXXWDI-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide (CID 19845932) is 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is YLYHBTLBYXXWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-12-11(15)9-14-7-5-4-6-10(14)8-13(2)3/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide?
2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 19845932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).