2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one

C20H26N4O2 — CID 37301489

IUPAC2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one
SMILESO=C(CC1CCCC1)N1CCN(Cn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C20H26N4O2/c25-19(13-16-5-1-2-6-16)23-11-9-22(10-12-23)15-24-20(26)18-8-4-3-7-17(18)14-21-24/h3-4,7-8,14,16H,1-2,5-6,9-13,15H2
InChIKeyQZCUUYBYRMVZMV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.08
Rot. Bonds4

About 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one

2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one (PubChem CID 37301489) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one
PubChem CID37301489
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one
SMILESO=C(CC1CCCC1)N1CCN(Cn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C20H26N4O2/c25-19(13-16-5-1-2-6-16)23-11-9-22(10-12-23)15-24-20(26)18-8-4-3-7-17(18)14-21-24/h3-4,7-8,14,16H,1-2,5-6,9-13,15H2
InChIKeyQZCUUYBYRMVZMV-UHFFFAOYSA-N
XLogP2.08
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
CID 35869698
2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one
CID 18132974
2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-4-(2,5-dimethylphenyl)phthalazin-1-one
CID 55571370
2-[2-[(4R)-4-ethylazepan-1-yl]-2-oxoethyl]phthalazin-1-one
CID 99481238
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phthalazin-1-one
CID 11245846
2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 35706085
2-[2-[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]phthalazin-1-one
CID 95394967
2-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]phthalazin-1-one
CID 16674895
2-[(2-benzylpiperidin-1-yl)methyl]phthalazin-1-one
CID 47092277
1-[2-(1-oxophthalazin-2-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168317
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one
CID 11428942
2-[2-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-oxoethyl]phthalazin-1-one
CID 95722112

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one?
The IUPAC name of 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one (CID 37301489) is 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one.
What is the SMILES notation for 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one?
The canonical SMILES for 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one is O=C(CC1CCCC1)N1CCN(Cn2ncc3ccccc3c2=O)CC1.
What is the InChIKey of 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one?
The InChIKey is QZCUUYBYRMVZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19(13-16-5-1-2-6-16)23-11-9-22(10-12-23)15-24-20(26)18-8-4-3-7-17(18)14-21-24/h3-4,7-8,14,16H,1-2,5-6,9-13,15H2.
What are the key properties of 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one?
2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one is sourced from PubChem (CID 37301489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).