[1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate

C20H30N4O3 — CID 24848545

IUPAC[1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate
SMILESCCNC(=O)OC(CN1CCN(c2ccccc2)CC1)CN1CCCC1=O
InChIInChI=1S/C20H30N4O3/c1-2-21-20(26)27-18(16-24-10-6-9-19(24)25)15-22-11-13-23(14-12-22)17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,21,26)
InChIKeyUCVNXRLUAXUXIF-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.55
Rot. Bonds7

About [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate

[1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate (PubChem CID 24848545) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate
PubChem CID24848545
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name[1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate
SMILESCCNC(=O)OC(CN1CCN(c2ccccc2)CC1)CN1CCCC1=O
InChIInChI=1S/C20H30N4O3/c1-2-21-20(26)27-18(16-24-10-6-9-19(24)25)15-22-11-13-23(14-12-22)17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,21,26)
InChIKeyUCVNXRLUAXUXIF-UHFFFAOYSA-N
XLogP1.55
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate?
The IUPAC name of [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate (CID 24848545) is [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate.
What is the SMILES notation for [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate?
The canonical SMILES for [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate is CCNC(=O)OC(CN1CCN(c2ccccc2)CC1)CN1CCCC1=O.
What is the InChIKey of [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate?
The InChIKey is UCVNXRLUAXUXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-21-20(26)27-18(16-24-10-6-9-19(24)25)15-22-11-13-23(14-12-22)17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,21,26).
What are the key properties of [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate?
[1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate has a molecular weight of 374.49 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate is sourced from PubChem (CID 24848545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).