4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one

C24H25FN4O3 — CID 35366950

IUPAC4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccccc2c1=O
InChIInChI=1S/C24H25FN4O3/c1-2-11-29-23(31)20-6-4-3-5-19(20)22(26-29)24(32)28-14-12-27(13-15-28)21(30)16-17-7-9-18(25)10-8-17/h3-10H,2,11-16H2,1H3
InChIKeyQYDBZNPWGXZJOR-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.47
Rot. Bonds5

About 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one

4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one (PubChem CID 35366950) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one
PubChem CID35366950
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccccc2c1=O
InChIInChI=1S/C24H25FN4O3/c1-2-11-29-23(31)20-6-4-3-5-19(20)22(26-29)24(32)28-14-12-27(13-15-28)21(30)16-17-7-9-18(25)10-8-17/h3-10H,2,11-16H2,1H3
InChIKeyQYDBZNPWGXZJOR-UHFFFAOYSA-N
XLogP2.47
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
CID 9452362
4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 24567052
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one
CID 17428260
4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 55496276
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 55716724
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
CID 2594981
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 49071749
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 17420770
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 95582769
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502564

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one?
The IUPAC name of 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one (CID 35366950) is 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one.
What is the SMILES notation for 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one?
The canonical SMILES for 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one is CCCn1nc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one?
The InChIKey is QYDBZNPWGXZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-2-11-29-23(31)20-6-4-3-5-19(20)22(26-29)24(32)28-14-12-27(13-15-28)21(30)16-17-7-9-18(25)10-8-17/h3-10H,2,11-16H2,1H3.
What are the key properties of 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one?
4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one has a molecular weight of 436.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one is sourced from PubChem (CID 35366950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).