2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen

C19H42N4O2 — CID 176575925

IUPAC2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen
SMILESCCN1CCC(OC2CCN(CC(=O)NCCNC(C)C)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C19H38N4O2.2H2/c1-4-22-11-5-17(6-12-22)25-18-7-13-23(14-8-18)15-19(24)21-10-9-20-16(2)3;;/h16-18,20H,4-15H2,1-3H3,(H,21,24);2*1H
InChIKeyHMMNPYNXCGINTJ-UHFFFAOYSA-N
MW358.57 g/mol
LogP1.56
Rot. Bonds9

About 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen

2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen (PubChem CID 176575925) has the molecular formula C19H42N4O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen
PubChem CID176575925
Molecular FormulaC19H42N4O2
Molecular Weight358.57 g/mol
Exact Mass358.33
IUPAC Name2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen
SMILESCCN1CCC(OC2CCN(CC(=O)NCCNC(C)C)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C19H38N4O2.2H2/c1-4-22-11-5-17(6-12-22)25-18-7-13-23(14-8-18)15-19(24)21-10-9-20-16(2)3;;/h16-18,20H,4-15H2,1-3H3,(H,21,24);2*1H
InChIKeyHMMNPYNXCGINTJ-UHFFFAOYSA-N
XLogP1.56
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen?
The IUPAC name of 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen (CID 176575925) is 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen is CCN1CCC(OC2CCN(CC(=O)NCCNC(C)C)CC2)CC1.[H][H].[H][H].
What is the InChIKey of 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen?
The InChIKey is HMMNPYNXCGINTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2.2H2/c1-4-22-11-5-17(6-12-22)25-18-7-13-23(14-8-18)15-19(24)21-10-9-20-16(2)3;;/h16-18,20H,4-15H2,1-3H3,(H,21,24);2*1H.
What are the key properties of 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen?
2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen has a molecular weight of 358.57 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylpiperidin-4-yl)oxypiperidin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 176575925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).