[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone

C23H22N4O3 — CID 134801691

IUPAC[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)nn1
InChIInChI=1S/C23H22N4O3/c1-30-21-12-11-20(24-25-21)17-7-9-19(10-8-17)23(29)27-15-13-26(14-16-27)22(28)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3
InChIKeyWXHBGACOOQRACX-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.75
Rot. Bonds4

About [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone

[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone (PubChem CID 134801691) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
PubChem CID134801691
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)nn1
InChIInChI=1S/C23H22N4O3/c1-30-21-12-11-20(24-25-21)17-7-9-19(10-8-17)23(29)27-15-13-26(14-16-27)22(28)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3
InChIKeyWXHBGACOOQRACX-UHFFFAOYSA-N
XLogP2.75
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-methoxypyridazin-3-yl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 134802267
[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119072911
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 16883350
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
CID 134801644
(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
CID 134803605
(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
CID 126446549
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
CID 134801234
CID 134801234
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
CID 134803644
CID 134803813
CID 134803813

Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone (CID 134801691) is [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone is COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)nn1.
What is the InChIKey of [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is WXHBGACOOQRACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-30-21-12-11-20(24-25-21)17-7-9-19(10-8-17)23(29)27-15-13-26(14-16-27)22(28)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3.
What are the key properties of [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone?
[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 402.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 134801691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).