6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one

C16H21N3O — CID 1281627

IUPAC6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CN1CCCCC1
InChIInChI=1S/C16H21N3O/c20-16-10-9-15(14-7-3-1-4-8-14)17-19(16)13-18-11-5-2-6-12-18/h1,3-4,7-8H,2,5-6,9-13H2
InChIKeyMKQLZCDMTLPTNX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.46
Rot. Bonds3

About 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one

6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 1281627) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID1281627
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CN1CCCCC1
InChIInChI=1S/C16H21N3O/c20-16-10-9-15(14-7-3-1-4-8-14)17-19(16)13-18-11-5-2-6-12-18/h1,3-4,7-8H,2,5-6,9-13H2
InChIKeyMKQLZCDMTLPTNX-UHFFFAOYSA-N
XLogP2.46
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
6-Phenyl-2-(morpholin-4-ylmethyl)-4,5-dihydro-2 H-pyridazin-3-one
CID 1281629
6-(4-methylphenyl)-2-(1-piperidinylmethyl)-4,5-dihydro-3(2H)-pyridazinone
CID 4430496
2-[(4-Methylpiperazin-1-yl)methyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 46702669
2-phenyl-1-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 686393
3(2H)-Pyridazinone, 6-phenyl-2-(piperidino)methyl-
CID 215320
Piperidinium, 1-methyl-1-((3-oxo-6-phenyl-2-pyridazinyl)methyl)-, bromide
CID 215321
3(2H)-Pyridazinone, 6-phenyl-2-((4-propyl-1-piperazinyl)methyl)-
CID 215323
3(2H)-Pyridazinone, 2-((4-butyl-1-piperazinyl)methyl)-6-phenyl-
CID 215324
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(1,2,5-trimethyl-4-piperidinyl)-
CID 3025439
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(1,2,5-trimethyl-4-piperidinyl)-
CID 3025440
6-(4-Chlorophenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 12410699

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 1281627) is 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccccc2)=NN1CN1CCCCC1.
What is the InChIKey of 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is MKQLZCDMTLPTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-10-9-15(14-7-3-1-4-8-14)17-19(16)13-18-11-5-2-6-12-18/h1,3-4,7-8H,2,5-6,9-13H2.
What are the key properties of 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1281627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).