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

C18H26N4O2 — CID 70787307

IUPAC1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CC2)C1)N1CCN(CCn2cccc2)CC1
InChIInChI=1S/C18H26N4O2/c23-17-13-15(14-22(17)16-3-4-16)18(24)21-11-9-20(10-12-21)8-7-19-5-1-2-6-19/h1-2,5-6,15-16H,3-4,7-14H2
InChIKeyYSPXZBVOULIUBN-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.64
Rot. Bonds5

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

1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70787307) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID70787307
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CC2)C1)N1CCN(CCn2cccc2)CC1
InChIInChI=1S/C18H26N4O2/c23-17-13-15(14-22(17)16-3-4-16)18(24)21-11-9-20(10-12-21)8-7-19-5-1-2-6-19/h1-2,5-6,15-16H,3-4,7-14H2
InChIKeyYSPXZBVOULIUBN-UHFFFAOYSA-N
XLogP0.64
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 70787307) is 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(C2CC2)C1)N1CCN(CCn2cccc2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YSPXZBVOULIUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17-13-15(14-22(17)16-3-4-16)18(24)21-11-9-20(10-12-21)8-7-19-5-1-2-6-19/h1-2,5-6,15-16H,3-4,7-14H2.
What are the key properties of 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70787307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).