1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione

C20H24ClN3O3 — CID 2978463

IUPAC1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C(C1CCCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1)N1CCCC1
InChIInChI=1S/C20H24ClN3O3/c21-15-5-7-16(8-6-15)24-18(25)12-17(20(24)27)23-11-3-4-14(13-23)19(26)22-9-1-2-10-22/h5-8,14,17H,1-4,9-13H2
InChIKeySNQRLIHJRADGKC-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.31
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione

1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2978463) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID2978463
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C(C1CCCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1)N1CCCC1
InChIInChI=1S/C20H24ClN3O3/c21-15-5-7-16(8-6-15)24-18(25)12-17(20(24)27)23-11-3-4-14(13-23)19(26)22-9-1-2-10-22/h5-8,14,17H,1-4,9-13H2
InChIKeySNQRLIHJRADGKC-UHFFFAOYSA-N
XLogP2.31
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 2978463) is 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione is O=C(C1CCCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1)N1CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is SNQRLIHJRADGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-15-5-7-16(8-6-15)24-18(25)12-17(20(24)27)23-11-3-4-14(13-23)19(26)22-9-1-2-10-22/h5-8,14,17H,1-4,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 389.88 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2978463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).