[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate

C22H23N3O3 — CID 40703975

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H23N3O3/c1-23-15-19(18-9-5-6-10-20(18)23)22(27)28-16-21(26)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3
InChIKeyZGKGABLHIKIXBW-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.68
Rot. Bonds4

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate (PubChem CID 40703975) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate
PubChem CID40703975
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H23N3O3/c1-23-15-19(18-9-5-6-10-20(18)23)22(27)28-16-21(26)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3
InChIKeyZGKGABLHIKIXBW-UHFFFAOYSA-N
XLogP2.68
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylpyrrole-2-carboxylate
CID 2526458
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 7376507
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 7376508
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(cyanomethyl)benzoate
CID 30656430
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-chloro-2-hydroxybenzoate
CID 7990421
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3,4-dimethylbenzoyl)benzoate
CID 29352285
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,5-difluorobenzoate
CID 7990009
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816197
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate
CID 23915883
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate (CID 40703975) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate is Cn1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate?
The InChIKey is ZGKGABLHIKIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-23-15-19(18-9-5-6-10-20(18)23)22(27)28-16-21(26)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 40703975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).