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

C21H38N4O2 — CID 88863296

IUPAC2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCCC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1
InChIInChI=1S/C21H38N4O2/c1-2-18-5-11-23(12-6-18)16-21(27)25(20-3-9-22-10-4-20)15-19-7-13-24(17-26)14-8-19/h17-20,22H,2-16H2,1H3
InChIKeySJINBQKQBASNNZ-UHFFFAOYSA-N
MW378.56 g/mol
LogP1.56
Rot. Bonds7

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

2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide (PubChem CID 88863296) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
PubChem CID88863296
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCCC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1
InChIInChI=1S/C21H38N4O2/c1-2-18-5-11-23(12-6-18)16-21(27)25(20-3-9-22-10-4-20)15-19-7-13-24(17-26)14-8-19/h17-20,22H,2-16H2,1H3
InChIKeySJINBQKQBASNNZ-UHFFFAOYSA-N
XLogP1.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 51.56
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 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide (CID 88863296) is 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide is CCC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The InChIKey is SJINBQKQBASNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-2-18-5-11-23(12-6-18)16-21(27)25(20-3-9-22-10-4-20)15-19-7-13-24(17-26)14-8-19/h17-20,22H,2-16H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide has a molecular weight of 378.56 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 88863296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).