(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C18H22N4O2 — CID 121060380

IUPAC(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCN(c3cccnn3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-14(2)24-16-7-5-15(6-8-16)18(23)22-12-10-21(11-13-22)17-4-3-9-19-20-17/h3-9,14H,10-13H2,1-2H3
InChIKeyXIUSCVWDQRFWOL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 121060380) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID121060380
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCN(c3cccnn3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-14(2)24-16-7-5-15(6-8-16)18(23)22-12-10-21(11-13-22)17-4-3-9-19-20-17/h3-9,14H,10-13H2,1-2H3
InChIKeyXIUSCVWDQRFWOL-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060283
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721
(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 119873679
[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 110802129
2-(3-fluorophenoxy)-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060436
2-[3-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenoxy]acetic acid
CID 119183766

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 121060380) is (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is CC(C)Oc1ccc(C(=O)N2CCN(c3cccnn3)CC2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is XIUSCVWDQRFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14(2)24-16-7-5-15(6-8-16)18(23)22-12-10-21(11-13-22)17-4-3-9-19-20-17/h3-9,14H,10-13H2,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 121060380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).