1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C17H29N3O3 — CID 131898646

IUPAC1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESC=CCN1CC(C(=O)N2CCN(CCOCCC)CC2)CC1=O
InChIInChI=1S/C17H29N3O3/c1-3-5-20-14-15(13-16(20)21)17(22)19-8-6-18(7-9-19)10-12-23-11-4-2/h3,15H,1,4-14H2,2H3
InChIKeySUUSIIIWQXHFJT-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.59
Rot. Bonds8

About 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 131898646) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID131898646
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESC=CCN1CC(C(=O)N2CCN(CCOCCC)CC2)CC1=O
InChIInChI=1S/C17H29N3O3/c1-3-5-20-14-15(13-16(20)21)17(22)19-8-6-18(7-9-19)10-12-23-11-4-2/h3,15H,1,4-14H2,2H3
InChIKeySUUSIIIWQXHFJT-UHFFFAOYSA-N
XLogP0.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 131898646) is 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one is C=CCN1CC(C(=O)N2CCN(CCOCCC)CC2)CC1=O.
What is the InChIKey of 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SUUSIIIWQXHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-3-5-20-14-15(13-16(20)21)17(22)19-8-6-18(7-9-19)10-12-23-11-4-2/h3,15H,1,4-14H2,2H3.
What are the key properties of 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 0.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-[4-(2-propoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 131898646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).