4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one

C19H21N5O3 — CID 97125817

IUPAC4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1noc([C@@H]2CCCCN2C(=O)Cn2nc(C)c3ccccc3c2=O)n1
InChIInChI=1S/C19H21N5O3/c1-12-14-7-3-4-8-15(14)19(26)24(21-12)11-17(25)23-10-6-5-9-16(23)18-20-13(2)22-27-18/h3-4,7-8,16H,5-6,9-11H2,1-2H3/t16-/m0/s1
InChIKeyNEKFUYZVPJZUJP-INIZCTEOSA-N
MW367.41 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one

4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one (PubChem CID 97125817) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
PubChem CID97125817
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1noc([C@@H]2CCCCN2C(=O)Cn2nc(C)c3ccccc3c2=O)n1
InChIInChI=1S/C19H21N5O3/c1-12-14-7-3-4-8-15(14)19(26)24(21-12)11-17(25)23-10-6-5-9-16(23)18-20-13(2)22-27-18/h3-4,7-8,16H,5-6,9-11H2,1-2H3/t16-/m0/s1
InChIKeyNEKFUYZVPJZUJP-INIZCTEOSA-N
XLogP2.15
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one with MolForge

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Related Compounds

1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 75421935
4-methyl-2-[2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 39976417
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 90564068
2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
CID 131916966
N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 90564298
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90564019
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70727121
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 90564159
furan-3-yl-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110697
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 90564177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one (CID 97125817) is 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one is Cc1noc([C@@H]2CCCCN2C(=O)Cn2nc(C)c3ccccc3c2=O)n1.
What is the InChIKey of 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one?
The InChIKey is NEKFUYZVPJZUJP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-14-7-3-4-8-15(14)19(26)24(21-12)11-17(25)23-10-6-5-9-16(23)18-20-13(2)22-27-18/h3-4,7-8,16H,5-6,9-11H2,1-2H3/t16-/m0/s1.
What are the key properties of 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one?
4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one has a molecular weight of 367.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 97125817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).