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

C20H36N4O2 — CID 118052267

IUPACN-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1
InChIInChI=1S/C20H36N4O2/c1-17-4-10-22(11-5-17)15-20(26)24(19-2-8-21-9-3-19)14-18-6-12-23(16-25)13-7-18/h16-19,21H,2-15H2,1H3
InChIKeyDBVDSJYVHUQNJZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.17
Rot. Bonds6

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

N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide (PubChem CID 118052267) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
PubChem CID118052267
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC NameN-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1
InChIInChI=1S/C20H36N4O2/c1-17-4-10-22(11-5-17)15-20(26)24(19-2-8-21-9-3-19)14-18-6-12-23(16-25)13-7-18/h16-19,21H,2-15H2,1H3
InChIKeyDBVDSJYVHUQNJZ-UHFFFAOYSA-N
XLogP1.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide?
The IUPAC name of N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide (CID 118052267) is N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide is CC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1.
What is the InChIKey of N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide?
The InChIKey is DBVDSJYVHUQNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-17-4-10-22(11-5-17)15-20(26)24(19-2-8-21-9-3-19)14-18-6-12-23(16-25)13-7-18/h16-19,21H,2-15H2,1H3.
What are the key properties of N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide?
N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide has a molecular weight of 364.53 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-formylpiperidin-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 118052267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).