1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one

C21H29N3O3 — CID 91913065

IUPAC1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-27-16-15-23-10-7-18(19(23)25)22-11-13-24(14-12-22)20(26)21(8-9-21)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3
InChIKeySUBDEQPSAJXHOR-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.11
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one

1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 91913065) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID91913065
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-27-16-15-23-10-7-18(19(23)25)22-11-13-24(14-12-22)20(26)21(8-9-21)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3
InChIKeySUBDEQPSAJXHOR-UHFFFAOYSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 91913065) is 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one is COCCN1CCC(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is SUBDEQPSAJXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-27-16-15-23-10-7-18(19(23)25)22-11-13-24(14-12-22)20(26)21(8-9-21)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 91913065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).