3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C20H26N4O3 — CID 110814673

IUPAC3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCc1ccc(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-2-3-4-15-5-7-16(8-6-15)19(26)23-11-13-24(14-12-23)20(27)17-9-10-18(25)22-21-17/h5-8H,2-4,9-14H2,1H3,(H,22,25)
InChIKeyGCTTWDLUDSJVLD-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.58
Rot. Bonds5

About 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110814673) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110814673
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCc1ccc(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-2-3-4-15-5-7-16(8-6-15)19(26)23-11-13-24(14-12-23)20(27)17-9-10-18(25)22-21-17/h5-8H,2-4,9-14H2,1H3,(H,22,25)
InChIKeyGCTTWDLUDSJVLD-UHFFFAOYSA-N
XLogP1.58
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
[2-(4-butylphenyl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211440
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251
3-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814711
3-(4-butanoyl-1,4-diazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110805956
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9153300
3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802832
4-(4-butylbenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813413

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 110814673) is 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is CCCCc1ccc(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1.
What is the InChIKey of 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GCTTWDLUDSJVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-3-4-15-5-7-16(8-6-15)19(26)23-11-13-24(14-12-23)20(27)17-9-10-18(25)22-21-17/h5-8H,2-4,9-14H2,1H3,(H,22,25).
What are the key properties of 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 370.45 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110814673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).