6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one

C30H31ClN4O3 — CID 2025761

IUPAC6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one
SMILESO=C(C1=CCC(=O)N(c2ccc(Cl)cc2)N1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H31ClN4O3/c31-25-11-13-26(14-12-25)35-28(36)16-15-27(32-35)30(37)34-19-17-33(18-20-34)21-22-38-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-15,29,32H,16-22H2
InChIKeyCTWKWBVMXZNONM-UHFFFAOYSA-N
MW531.06 g/mol
LogP4.42
Rot. Bonds8

About 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one

6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one (PubChem CID 2025761) has the molecular formula C30H31ClN4O3 and a molecular weight of 531.06 g/mol. Its IUPAC name is 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one
PubChem CID2025761
Molecular FormulaC30H31ClN4O3
Molecular Weight531.06 g/mol
Exact Mass530.21
IUPAC Name6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one
SMILESO=C(C1=CCC(=O)N(c2ccc(Cl)cc2)N1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H31ClN4O3/c31-25-11-13-26(14-12-25)35-28(36)16-15-27(32-35)30(37)34-19-17-33(18-20-34)21-22-38-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-15,29,32H,16-22H2
InChIKeyCTWKWBVMXZNONM-UHFFFAOYSA-N
XLogP4.42
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.06
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one with MolForge

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Related Compounds

6-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2022842
2-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2017874
(Z)-but-2-enedioic acid;1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-phenylpiperazine
CID 6436567
(E)-1-[4-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 176945307
6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2013733
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 10527563
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
6-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002838
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
bis((Z)-but-2-enedioic acid);1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-cyclohexylpiperazine
CID 6436584
4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-1,4-thiazepane;hydrochloride
CID 20846597

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one (CID 2025761) is 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one is O=C(C1=CCC(=O)N(c2ccc(Cl)cc2)N1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one?
The InChIKey is CTWKWBVMXZNONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O3/c31-25-11-13-26(14-12-25)35-28(36)16-15-27(32-35)30(37)34-19-17-33(18-20-34)21-22-38-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-15,29,32H,16-22H2.
What are the key properties of 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one?
6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one has a molecular weight of 531.06 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-benzhydryloxyethyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2025761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).