4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione

C17H20N4O3 — CID 95215004

IUPAC4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
SMILESCN1CCN(C(=O)Cc2cc(=O)[nH][nH]c2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-20-7-8-21(11-14(20)12-5-3-2-4-6-12)16(23)10-13-9-15(22)18-19-17(13)24/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,22)(H,19,24)/t14-/m1/s1
InChIKeyFXSVZUDDYYDYQL-CQSZACIVSA-N
MW328.37 g/mol
LogP0.12
Rot. Bonds3

About 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione

4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione (PubChem CID 95215004) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
PubChem CID95215004
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
SMILESCN1CCN(C(=O)Cc2cc(=O)[nH][nH]c2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-20-7-8-21(11-14(20)12-5-3-2-4-6-12)16(23)10-13-9-15(22)18-19-17(13)24/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,22)(H,19,24)/t14-/m1/s1
InChIKeyFXSVZUDDYYDYQL-CQSZACIVSA-N
XLogP0.12
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione 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-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
CID 119066565
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124964953
3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124988091
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124990187
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbutan-1-one
CID 110610580
2-butoxy-1-(4-methyl-3-phenylpiperazin-1-yl)ethanone
CID 86285799
3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 86284577

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione (CID 95215004) is 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione is CN1CCN(C(=O)Cc2cc(=O)[nH][nH]c2=O)C[C@@H]1c1ccccc1.
What is the InChIKey of 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The InChIKey is FXSVZUDDYYDYQL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-7-8-21(11-14(20)12-5-3-2-4-6-12)16(23)10-13-9-15(22)18-19-17(13)24/h2-6,9,14H,7-8,10-11H2,1H3,(H,18,22)(H,19,24)/t14-/m1/s1.
What are the key properties of 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione has a molecular weight of 328.37 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 95215004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).