methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate

C19H23N3O5 — CID 166812548

IUPACmethyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate
SMILESCOC(=O)Cc1nn(CC2CCN(C(=O)OC)CC2)c(=O)c2ccccc12
InChIInChI=1S/C19H23N3O5/c1-26-17(23)11-16-14-5-3-4-6-15(14)18(24)22(20-16)12-13-7-9-21(10-8-13)19(25)27-2/h3-6,13H,7-12H2,1-2H3
InChIKeyLQYLGQDNHREROI-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.59
Rot. Bonds4

About methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate

methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 166812548) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate
PubChem CID166812548
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate
SMILESCOC(=O)Cc1nn(CC2CCN(C(=O)OC)CC2)c(=O)c2ccccc12
InChIInChI=1S/C19H23N3O5/c1-26-17(23)11-16-14-5-3-4-6-15(14)18(24)22(20-16)12-13-7-9-21(10-8-13)19(25)27-2/h3-6,13H,7-12H2,1-2H3
InChIKeyLQYLGQDNHREROI-UHFFFAOYSA-N
XLogP1.59
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate
CID 153097365
2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid
CID 147712250
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
CID 872390
ethyl 2-[3-(hydroxymethyl)-4-oxophthalazin-1-yl]acetate
CID 14519538
methyl 2-[4-oxo-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]methyl]phthalazin-1-yl]acetate
CID 24962292
3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid
CID 61342452
ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate
CID 67239711
ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate
CID 2779137
4-[(4-chlorophenyl)methyl]-2-[(1-methylpyrrolidin-3-yl)methyl]phthalazin-1-one
CID 52937119
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
ethyl 2-[1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]acetate
CID 57481633
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate (CID 166812548) is methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate is COC(=O)Cc1nn(CC2CCN(C(=O)OC)CC2)c(=O)c2ccccc12.
What is the InChIKey of methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate?
The InChIKey is LQYLGQDNHREROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-26-17(23)11-16-14-5-3-4-6-15(14)18(24)22(20-16)12-13-7-9-21(10-8-13)19(25)27-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate?
methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 166812548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).