3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one

C19H24N4O — CID 71946757

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
SMILESO=c1c2c(cnn1CN1CCN(Cc3ccccc3)CC1)CCC2
InChIInChI=1S/C19H24N4O/c24-19-18-8-4-7-17(18)13-20-23(19)15-22-11-9-21(10-12-22)14-16-5-2-1-3-6-16/h1-3,5-6,13H,4,7-12,14-15H2
InChIKeyNXWBYWMHDODHMF-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.51
Rot. Bonds4

About 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one

3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one (PubChem CID 71946757) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
PubChem CID71946757
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
SMILESO=c1c2c(cnn1CN1CCN(Cc3ccccc3)CC1)CCC2
InChIInChI=1S/C19H24N4O/c24-19-18-8-4-7-17(18)13-20-23(19)15-22-11-9-21(10-12-22)14-16-5-2-1-3-6-16/h1-3,5-6,13H,4,7-12,14-15H2
InChIKeyNXWBYWMHDODHMF-UHFFFAOYSA-N
XLogP1.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 82588919
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
methyl 2-[4-(4-benzylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1-yl]acetate
CID 16763812
10-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 16618271
2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
CID 35869698
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phthalazin-1-one
CID 11245846
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
1-benzylazepane
CID 10954328
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245547
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one (CID 71946757) is 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one is O=c1c2c(cnn1CN1CCN(Cc3ccccc3)CC1)CCC2.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The InChIKey is NXWBYWMHDODHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19-18-8-4-7-17(18)13-20-23(19)15-22-11-9-21(10-12-22)14-16-5-2-1-3-6-16/h1-3,5-6,13H,4,7-12,14-15H2.
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one has a molecular weight of 324.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one is sourced from PubChem (CID 71946757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).