1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid

C17H19N3O4 — CID 75421935

IUPAC1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1nn(CC(=O)N2CCCCC2C(=O)O)c(=O)c2ccccc12
InChIInChI=1S/C17H19N3O4/c1-11-12-6-2-3-7-13(12)16(22)20(18-11)10-15(21)19-9-5-4-8-14(19)17(23)24/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,23,24)
InChIKeyNPDHNCDPKUDJTL-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.17
Rot. Bonds3

About 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid

1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 75421935) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID75421935
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1nn(CC(=O)N2CCCCC2C(=O)O)c(=O)c2ccccc12
InChIInChI=1S/C17H19N3O4/c1-11-12-6-2-3-7-13(12)16(22)20(18-11)10-15(21)19-9-5-4-8-14(19)17(23)24/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,23,24)
InChIKeyNPDHNCDPKUDJTL-UHFFFAOYSA-N
XLogP1.17
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 39976417
4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 97125817
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 51075869
5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 72843151
2-[2-[(4S)-4-aminoazepan-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 95724840
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 56817728
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 55533497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid (CID 75421935) is 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid is Cc1nn(CC(=O)N2CCCCC2C(=O)O)c(=O)c2ccccc12.
What is the InChIKey of 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is NPDHNCDPKUDJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-12-6-2-3-7-13(12)16(22)20(18-11)10-15(21)19-9-5-4-8-14(19)17(23)24/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,23,24).
What are the key properties of 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 75421935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).