4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide

C19H28N4O2 — CID 108875871

IUPAC4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)CC1
InChIInChI=1S/C19H28N4O2/c1-3-21-9-11-22(12-10-21)19(25)20-17-13-18(24)23(14-17)15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,20,25)
InChIKeyFRRYMIRRYJCEPS-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.70
Rot. Bonds4

About 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide

4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide (PubChem CID 108875871) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
PubChem CID108875871
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)CC1
InChIInChI=1S/C19H28N4O2/c1-3-21-9-11-22(12-10-21)19(25)20-17-13-18(24)23(14-17)15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,20,25)
InChIKeyFRRYMIRRYJCEPS-UHFFFAOYSA-N
XLogP1.70
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide (CID 108875871) is 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide is CCN1CCN(C(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)CC1.
What is the InChIKey of 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The InChIKey is FRRYMIRRYJCEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-21-9-11-22(12-10-21)19(25)20-17-13-18(24)23(14-17)15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,20,25).
What are the key properties of 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 108875871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).