(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone

C16H18N4O — CID 86285379

IUPAC(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
SMILESCN1CCN(C(=O)c2ccnnc2)CC1c1ccccc1
InChIInChI=1S/C16H18N4O/c1-19-9-10-20(16(21)14-7-8-17-18-11-14)12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3
InChIKeyFLOYISCBJRIPFH-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.61
Rot. Bonds2

About (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone

(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone (PubChem CID 86285379) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
PubChem CID86285379
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
SMILESCN1CCN(C(=O)c2ccnnc2)CC1c1ccccc1
InChIInChI=1S/C16H18N4O/c1-19-9-10-20(16(21)14-7-8-17-18-11-14)12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3
InChIKeyFLOYISCBJRIPFH-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110416835
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone (CID 86285379) is (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone is CN1CCN(C(=O)c2ccnnc2)CC1c1ccccc1.
What is the InChIKey of (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone?
The InChIKey is FLOYISCBJRIPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19-9-10-20(16(21)14-7-8-17-18-11-14)12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone?
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone has a molecular weight of 282.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 86285379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).