4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

C21H26N4O3 — CID 95100171

IUPAC4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-3-28-18-9-7-17(8-10-18)20(26)23-16(2)21(27)25-14-12-24(13-15-25)19-6-4-5-11-22-19/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyTXTCIHRXSMLTME-MRXNPFEDSA-N
MW382.46 g/mol
LogP1.95
Rot. Bonds6

About 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide (PubChem CID 95100171) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
PubChem CID95100171
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-3-28-18-9-7-17(8-10-18)20(26)23-16(2)21(27)25-14-12-24(13-15-25)19-6-4-5-11-22-19/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyTXTCIHRXSMLTME-MRXNPFEDSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 41446390
N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
CID 53161580
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
2-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100164
2-(2-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 95100131
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
2-ethoxy-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 75506654

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide (CID 95100171) is 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide is CCOc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The InChIKey is TXTCIHRXSMLTME-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-28-18-9-7-17(8-10-18)20(26)23-16(2)21(27)25-14-12-24(13-15-25)19-6-4-5-11-22-19/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 95100171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).