2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

C17H27N3O2 — CID 110881174

IUPAC2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCN(CCO)CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-2-19(12-13-21)14-17(22)18-15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9,21H,2-5,10-14H2,1H3,(H,18,22)
InChIKeyBNASOASAFJGFTA-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.93
Rot. Bonds7

About 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110881174) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110881174
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCN(CCO)CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-2-19(12-13-21)14-17(22)18-15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9,21H,2-5,10-14H2,1H3,(H,18,22)
InChIKeyBNASOASAFJGFTA-UHFFFAOYSA-N
XLogP1.93
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 31994583
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496595
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52682345
2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52690468
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 110881174) is 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is CCN(CCO)CC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is BNASOASAFJGFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-19(12-13-21)14-17(22)18-15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9,21H,2-5,10-14H2,1H3,(H,18,22).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110881174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).