[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate

C20H22N4O5 — CID 38702786

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate
SMILESCOc1ncccc1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H22N4O5/c1-28-18-16(8-5-9-21-18)19(26)29-14-17(25)23-10-12-24(13-11-23)20(27)22-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,22,27)
InChIKeyDIIMFHPIMFPHBH-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.62
Rot. Bonds5

About [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate (PubChem CID 38702786) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate
PubChem CID38702786
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate
SMILESCOc1ncccc1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H22N4O5/c1-28-18-16(8-5-9-21-18)19(26)29-14-17(25)23-10-12-24(13-11-23)20(27)22-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,22,27)
InChIKeyDIIMFHPIMFPHBH-UHFFFAOYSA-N
XLogP1.62
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
CID 55443494
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate
CID 27212790
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 55555560
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
CID 27237321
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 27728272
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 60598831
cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 27213504
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromothiophene-2-carboxylate
CID 27263141
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 24522199
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765128
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355379

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate (CID 38702786) is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate is COc1ncccc1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate?
The InChIKey is DIIMFHPIMFPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-28-18-16(8-5-9-21-18)19(26)29-14-17(25)23-10-12-24(13-11-23)20(27)22-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,22,27).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate?
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate has a molecular weight of 398.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 38702786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).