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

C18H28N4O2 — CID 70713159

IUPAC1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-15(2)22-14-16(13-17(22)23)18(24)21-11-9-20(10-12-21)8-7-19-5-3-4-6-19/h3-6,15-16H,7-14H2,1-2H3
InChIKeyRFJMBBLAXLYCCX-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.89
Rot. Bonds5

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

1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70713159) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID70713159
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-15(2)22-14-16(13-17(22)23)18(24)21-11-9-20(10-12-21)8-7-19-5-3-4-6-19/h3-6,15-16H,7-14H2,1-2H3
InChIKeyRFJMBBLAXLYCCX-UHFFFAOYSA-N
XLogP0.89
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 70713159) is 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O.
What is the InChIKey of 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RFJMBBLAXLYCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(2)22-14-16(13-17(22)23)18(24)21-11-9-20(10-12-21)8-7-19-5-3-4-6-19/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70713159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).