(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate

C23H24ClN3O4 — CID 25264585

IUPAC(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate
SMILESO=C1Cc2cc(C(=O)CCN3CCN(C(=O)OCc4ccc(Cl)cc4)CC3)ccc2N1
InChIInChI=1S/C23H24ClN3O4/c24-19-4-1-16(2-5-19)15-31-23(30)27-11-9-26(10-12-27)8-7-21(28)17-3-6-20-18(13-17)14-22(29)25-20/h1-6,13H,7-12,14-15H2,(H,25,29)
InChIKeyDKLIYTMOIRYXEN-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.36
Rot. Bonds6

About (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate

(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate (PubChem CID 25264585) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate
PubChem CID25264585
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate
SMILESO=C1Cc2cc(C(=O)CCN3CCN(C(=O)OCc4ccc(Cl)cc4)CC3)ccc2N1
InChIInChI=1S/C23H24ClN3O4/c24-19-4-1-16(2-5-19)15-31-23(30)27-11-9-26(10-12-27)8-7-21(28)17-3-6-20-18(13-17)14-22(29)25-20/h1-6,13H,7-12,14-15H2,(H,25,29)
InChIKeyDKLIYTMOIRYXEN-UHFFFAOYSA-N
XLogP3.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate (CID 25264585) is (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate is O=C1Cc2cc(C(=O)CCN3CCN(C(=O)OCc4ccc(Cl)cc4)CC3)ccc2N1.
What is the InChIKey of (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate?
The InChIKey is DKLIYTMOIRYXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c24-19-4-1-16(2-5-19)15-31-23(30)27-11-9-26(10-12-27)8-7-21(28)17-3-6-20-18(13-17)14-22(29)25-20/h1-6,13H,7-12,14-15H2,(H,25,29).
What are the key properties of (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate?
(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate has a molecular weight of 441.92 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 25264585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).