3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H21N5O — CID 126944879

IUPAC3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1nnc(N2CCC(Cn3cnccc3=O)CC2)c2ccccc12
InChIInChI=1S/C19H21N5O/c1-14-16-4-2-3-5-17(16)19(22-21-14)23-10-7-15(8-11-23)12-24-13-20-9-6-18(24)25/h2-6,9,13,15H,7-8,10-12H2,1H3
InChIKeyNAIXHJQNAADGOI-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.41
Rot. Bonds3

About 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944879) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944879
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1nnc(N2CCC(Cn3cnccc3=O)CC2)c2ccccc12
InChIInChI=1S/C19H21N5O/c1-14-16-4-2-3-5-17(16)19(22-21-14)23-10-7-15(8-11-23)12-24-13-20-9-6-18(24)25/h2-6,9,13,15H,7-8,10-12H2,1H3
InChIKeyNAIXHJQNAADGOI-UHFFFAOYSA-N
XLogP2.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944881
6-cyclopropyl-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941716
6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943978
2-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864422
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945071
1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126945090
3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944789
3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945001
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
CID 154581188
N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 54923632

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944879) is 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1nnc(N2CCC(Cn3cnccc3=O)CC2)c2ccccc12.
What is the InChIKey of 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is NAIXHJQNAADGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-16-4-2-3-5-17(16)19(22-21-14)23-10-7-15(8-11-23)12-24-13-20-9-6-18(24)25/h2-6,9,13,15H,7-8,10-12H2,1H3.
What are the key properties of 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 335.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).