(3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione

C15H20N4O2 — CID 820492

IUPAC(3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione
SMILESCN1CCN(N[C@H]2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C15H20N4O2/c1-17-7-9-18(10-8-17)16-13-11-14(20)19(15(13)21)12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3/t13-/m0/s1
InChIKeySMSIHAAGRJAQSH-ZDUSSCGKSA-N
MW288.35 g/mol
LogP0.07
Rot. Bonds3

About (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione

(3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 820492) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione
PubChem CID820492
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione
SMILESCN1CCN(N[C@H]2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C15H20N4O2/c1-17-7-9-18(10-8-17)16-13-11-14(20)19(15(13)21)12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3/t13-/m0/s1
InChIKeySMSIHAAGRJAQSH-ZDUSSCGKSA-N
XLogP0.07
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
CID 83014327
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione
CID 124775786
(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 98187808
3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 107417757
3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
CID 102804739
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 63277861
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 82873070

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione (CID 820492) is (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione is CN1CCN(N[C@H]2CC(=O)N(c3ccccc3)C2=O)CC1.
What is the InChIKey of (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is SMSIHAAGRJAQSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-7-9-18(10-8-17)16-13-11-14(20)19(15(13)21)12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione?
(3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 820492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).