2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide

C20H38N4O — CID 118052258

IUPAC2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(CC2CCN(C)CC2)C2CCNCC2)CC1
InChIInChI=1S/C20H38N4O/c1-17-5-13-23(14-6-17)16-20(25)24(19-3-9-21-10-4-19)15-18-7-11-22(2)12-8-18/h17-19,21H,3-16H2,1-2H3
InChIKeyWWIYGZHIDWSNSO-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.64
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide

2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide (PubChem CID 118052258) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
PubChem CID118052258
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(CC2CCN(C)CC2)C2CCNCC2)CC1
InChIInChI=1S/C20H38N4O/c1-17-5-13-23(14-6-17)16-20(25)24(19-3-9-21-10-4-19)15-18-7-11-22(2)12-8-18/h17-19,21H,3-16H2,1-2H3
InChIKeyWWIYGZHIDWSNSO-UHFFFAOYSA-N
XLogP1.64
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide (CID 118052258) is 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide is CC1CCN(CC(=O)N(CC2CCN(C)CC2)C2CCNCC2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The InChIKey is WWIYGZHIDWSNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-17-5-13-23(14-6-17)16-20(25)24(19-3-9-21-10-4-19)15-18-7-11-22(2)12-8-18/h17-19,21H,3-16H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide has a molecular weight of 350.55 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 118052258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).