4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one

C25H30N2O2 — CID 174537031

IUPAC4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one
SMILESCCCOc1ccc(C2=CC(=O)CC2N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H30N2O2/c1-2-16-29-23-10-8-21(9-11-23)24-17-22(28)18-25(24)27-14-12-26(13-15-27)19-20-6-4-3-5-7-20/h3-11,17,25H,2,12-16,18-19H2,1H3
InChIKeyYYAWNPJUJGDMES-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.02
Rot. Bonds7

About 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one

4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one (PubChem CID 174537031) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one
PubChem CID174537031
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one
SMILESCCCOc1ccc(C2=CC(=O)CC2N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H30N2O2/c1-2-16-29-23-10-8-21(9-11-23)24-17-22(28)18-25(24)27-14-12-26(13-15-27)19-20-6-4-3-5-7-20/h3-11,17,25H,2,12-16,18-19H2,1H3
InChIKeyYYAWNPJUJGDMES-UHFFFAOYSA-N
XLogP4.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione
CID 30635283
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7456330
(3R)-3-[4-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7986469
butyl 2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]acetate;trihydrochloride
CID 140563419
2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol
CID 95868039
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one (CID 174537031) is 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one is CCCOc1ccc(C2=CC(=O)CC2N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one?
The InChIKey is YYAWNPJUJGDMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-16-29-23-10-8-21(9-11-23)24-17-22(28)18-25(24)27-14-12-26(13-15-27)19-20-6-4-3-5-7-20/h3-11,17,25H,2,12-16,18-19H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one?
4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one has a molecular weight of 390.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 174537031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).