4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one

C20H29N3O4 — CID 113182538

IUPAC4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one
SMILESCOCCCN1CC(C(=O)N2CCN(c3ccccc3OC)CC2)CC1=O
InChIInChI=1S/C20H29N3O4/c1-26-13-5-8-23-15-16(14-19(23)24)20(25)22-11-9-21(10-12-22)17-6-3-4-7-18(17)27-2/h3-4,6-7,16H,5,8-15H2,1-2H3
InChIKeyYRCRDJHVMNJUDZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.23
Rot. Bonds7

About 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one (PubChem CID 113182538) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one
PubChem CID113182538
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one
SMILESCOCCCN1CC(C(=O)N2CCN(c3ccccc3OC)CC2)CC1=O
InChIInChI=1S/C20H29N3O4/c1-26-13-5-8-23-15-16(14-19(23)24)20(25)22-11-9-21(10-12-22)17-6-3-4-7-18(17)27-2/h3-4,6-7,16H,5,8-15H2,1-2H3
InChIKeyYRCRDJHVMNJUDZ-UHFFFAOYSA-N
XLogP1.23
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24720670
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 113184102
(4S)-1-(2-methoxyethyl)-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 96576029
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 46109895
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112790414
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one (CID 113182538) is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one is COCCCN1CC(C(=O)N2CCN(c3ccccc3OC)CC2)CC1=O.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one?
The InChIKey is YRCRDJHVMNJUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-13-5-8-23-15-16(14-19(23)24)20(25)22-11-9-21(10-12-22)17-6-3-4-7-18(17)27-2/h3-4,6-7,16H,5,8-15H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one?
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 113182538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).