(2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate

C21H27ClN4O5 — CID 71744462

IUPAC(2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CCN1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C21H27ClN4O5/c1-15-13-23(6-7-25(15)21(29)31-26-19(27)4-5-20(26)28)14-16-2-3-17(12-18(16)22)24-8-10-30-11-9-24/h2-3,12,15H,4-11,13-14H2,1H3/t15-/m1/s1
InChIKeyDLBPNKZBGRQSNF-OAHLLOKOSA-N
MW450.92 g/mol
LogP1.88
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate (PubChem CID 71744462) has the molecular formula C21H27ClN4O5 and a molecular weight of 450.92 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate
PubChem CID71744462
Molecular FormulaC21H27ClN4O5
Molecular Weight450.92 g/mol
Exact Mass450.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CCN1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C21H27ClN4O5/c1-15-13-23(6-7-25(15)21(29)31-26-19(27)4-5-20(26)28)14-16-2-3-17(12-18(16)22)24-8-10-30-11-9-24/h2-3,12,15H,4-11,13-14H2,1H3/t15-/m1/s1
InChIKeyDLBPNKZBGRQSNF-OAHLLOKOSA-N
XLogP1.88
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate (CID 71744462) is (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate is C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CCN1C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is DLBPNKZBGRQSNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27ClN4O5/c1-15-13-23(6-7-25(15)21(29)31-26-19(27)4-5-20(26)28)14-16-2-3-17(12-18(16)22)24-8-10-30-11-9-24/h2-3,12,15H,4-11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate has a molecular weight of 450.92 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2R)-4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 71744462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).