1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C17H26N4O2 — CID 72891432

IUPAC1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O
InChIInChI=1S/C17H26N4O2/c1-2-20-14-15(13-16(20)22)17(23)21-11-9-19(10-12-21)8-7-18-5-3-4-6-18/h3-6,15H,2,7-14H2,1H3
InChIKeyUWZJPFDICHMERL-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.50
Rot. Bonds5

About 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 72891432) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID72891432
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O
InChIInChI=1S/C17H26N4O2/c1-2-20-14-15(13-16(20)22)17(23)21-11-9-19(10-12-21)8-7-18-5-3-4-6-18/h3-6,15H,2,7-14H2,1H3
InChIKeyUWZJPFDICHMERL-UHFFFAOYSA-N
XLogP0.50
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 72891432) is 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is CCN1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O.
What is the InChIKey of 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is UWZJPFDICHMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-20-14-15(13-16(20)22)17(23)21-11-9-19(10-12-21)8-7-18-5-3-4-6-18/h3-6,15H,2,7-14H2,1H3.
What are the key properties of 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 72891432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).