N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C21H28N4O4S — CID 71779547

IUPACN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)CC1
InChIInChI=1S/C21H28N4O4S/c1-30(28,29)24-12-10-15(11-13-24)20(26)22-14-19-17-8-4-5-9-18(17)21(27)25(23-19)16-6-2-3-7-16/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,22,26)
InChIKeyJLTSEZSYEQKAJI-UHFFFAOYSA-N
MW432.55 g/mol
LogP1.80
Rot. Bonds5

About N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71779547) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71779547
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)CC1
InChIInChI=1S/C21H28N4O4S/c1-30(28,29)24-12-10-15(11-13-24)20(26)22-14-19-17-8-4-5-9-18(17)21(27)25(23-19)16-6-2-3-7-16/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,22,26)
InChIKeyJLTSEZSYEQKAJI-UHFFFAOYSA-N
XLogP1.80
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]cyclohexane-1-carboxamide
CID 90490157
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90490167
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide
CID 90490247
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
CID 90490148
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
CID 71779529
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490236
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 90490086
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 71779551
(E)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90490216
2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490104

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71779547) is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)CC1.
What is the InChIKey of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JLTSEZSYEQKAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-30(28,29)24-12-10-15(11-13-24)20(26)22-14-19-17-8-4-5-9-18(17)21(27)25(23-19)16-6-2-3-7-16/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,22,26).
What are the key properties of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71779547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).