3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione

C22H23Cl2N3O2 — CID 178099235

IUPAC3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(N3CCN(Cc4ccccc4Cl)CC3)c2Cl)C(=O)N1
InChIInChI=1S/C22H23Cl2N3O2/c23-18-6-2-1-4-15(18)14-26-10-12-27(13-11-26)19-7-3-5-16(21(19)24)17-8-9-20(28)25-22(17)29/h1-7,17H,8-14H2,(H,25,28,29)
InChIKeyPFBNDQZIEZDSPP-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.84
Rot. Bonds4

About 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 178099235) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID178099235
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC Name3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(N3CCN(Cc4ccccc4Cl)CC3)c2Cl)C(=O)N1
InChIInChI=1S/C22H23Cl2N3O2/c23-18-6-2-1-4-15(18)14-26-10-12-27(13-11-26)19-7-3-5-16(21(19)24)17-8-9-20(28)25-22(17)29/h1-7,17H,8-14H2,(H,25,28,29)
InChIKeyPFBNDQZIEZDSPP-UHFFFAOYSA-N
XLogP3.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099434
3-[3-[4-(1,3-benzoxazol-4-yl)piperazin-1-yl]-2-chlorophenyl]piperidine-2,6-dione
CID 178099418
3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099384
3-[2-chloro-3-[4-[1-(2,2-difluoroethyl)-6-oxopyrimidin-5-yl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099186
3-[7-[[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177163399
3-[2-chloro-3-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099268
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
tert-butyl 6-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 178099304
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione
CID 174105678
(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
CID 174105700
3-[4-[[4-(3,6-dichloropyridazin-4-yl)piperazin-1-yl]methyl]-1-sulfanyl-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176674509

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione (CID 178099235) is 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(N3CCN(Cc4ccccc4Cl)CC3)c2Cl)C(=O)N1.
What is the InChIKey of 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is PFBNDQZIEZDSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c23-18-6-2-1-4-15(18)14-26-10-12-27(13-11-26)19-7-3-5-16(21(19)24)17-8-9-20(28)25-22(17)29/h1-7,17H,8-14H2,(H,25,28,29).
What are the key properties of 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 432.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178099235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).