3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione

C25H25ClN2O3 — CID 171846191

IUPAC3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(C4(N5CCCCC5=O)CC4)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C25H25ClN2O3/c26-23-18(4-3-5-19(23)20-11-12-21(29)27-24(20)31)16-7-9-17(10-8-16)25(13-14-25)28-15-2-1-6-22(28)30/h3-5,7-10,20H,1-2,6,11-15H2,(H,27,29,31)
InChIKeyTYMCAJHCUSQGJQ-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.53
Rot. Bonds4

About 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171846191) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
PubChem CID171846191
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3ccc(C4(N5CCCCC5=O)CC4)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C25H25ClN2O3/c26-23-18(4-3-5-19(23)20-11-12-21(29)27-24(20)31)16-7-9-17(10-8-16)25(13-14-25)28-15-2-1-6-22(28)30/h3-5,7-10,20H,1-2,6,11-15H2,(H,27,29,31)
InChIKeyTYMCAJHCUSQGJQ-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione (CID 171846191) is 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(-c3ccc(C4(N5CCCCC5=O)CC4)cc3)c2Cl)C(=O)N1.
What is the InChIKey of 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione?
The InChIKey is TYMCAJHCUSQGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c26-23-18(4-3-5-19(23)20-11-12-21(29)27-24(20)31)16-7-9-17(10-8-16)25(13-14-25)28-15-2-1-6-22(28)30/h3-5,7-10,20H,1-2,6,11-15H2,(H,27,29,31).
What are the key properties of 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 436.94 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).