4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

C19H23N5O3 — CID 9243282

IUPAC4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N5O3/c1-2-27-16-6-4-15(5-7-16)18(26)22-14-17(25)23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,2,10-14H2,1H3,(H,22,26)
InChIKeyIGXYXQCBMYCAOZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.95
Rot. Bonds6

About 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 9243282) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID9243282
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N5O3/c1-2-27-16-6-4-15(5-7-16)18(26)22-14-17(25)23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,2,10-14H2,1H3,(H,22,26)
InChIKeyIGXYXQCBMYCAOZ-UHFFFAOYSA-N
XLogP0.95
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9415430
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 27756575
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 34370661
4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 9105801
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
4-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9115821
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 9243282) is 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is IGXYXQCBMYCAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-2-27-16-6-4-15(5-7-16)18(26)22-14-17(25)23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,2,10-14H2,1H3,(H,22,26).
What are the key properties of 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 369.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 9243282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).