1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one

C19H27N3O3 — CID 112790414

IUPAC1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCN1CCN(C(=O)C2CC(=O)N(c3ccccc3OC)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-3-8-20-9-11-21(12-10-20)19(24)15-13-18(23)22(14-15)16-6-4-5-7-17(16)25-2/h4-7,15H,3,8-14H2,1-2H3
InChIKeyLAEXDTSXPGPSOE-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.60
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 112790414) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID112790414
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCN1CCN(C(=O)C2CC(=O)N(c3ccccc3OC)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-3-8-20-9-11-21(12-10-20)19(24)15-13-18(23)22(14-15)16-6-4-5-7-17(16)25-2/h4-7,15H,3,8-14H2,1-2H3
InChIKeyLAEXDTSXPGPSOE-UHFFFAOYSA-N
XLogP1.60
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 49070823
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
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55949576
N,N-diethyl-1-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 52796180
4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190760
1-(2-methoxyphenyl)-4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55340090
(4S)-1-(2,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 31370542
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 112790414) is 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCN1CCN(C(=O)C2CC(=O)N(c3ccccc3OC)C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is LAEXDTSXPGPSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-8-20-9-11-21(12-10-20)19(24)15-13-18(23)22(14-15)16-6-4-5-7-17(16)25-2/h4-7,15H,3,8-14H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 112790414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).