3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione

C22H25ClN4O3 — CID 178099434

IUPAC3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESCc1ccc(N2CCN(c3cccc(C4CCC(=O)NC4=O)c3Cl)CC2)c(=O)n1C
InChIInChI=1S/C22H25ClN4O3/c1-14-6-8-18(22(30)25(14)2)27-12-10-26(11-13-27)17-5-3-4-15(20(17)23)16-7-9-19(28)24-21(16)29/h3-6,8,16H,7,9-13H2,1-2H3,(H,24,28,29)
InChIKeyOBAWQSAPKYJBOY-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.19
Rot. Bonds3

About 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 178099434) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID178099434
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESCc1ccc(N2CCN(c3cccc(C4CCC(=O)NC4=O)c3Cl)CC2)c(=O)n1C
InChIInChI=1S/C22H25ClN4O3/c1-14-6-8-18(22(30)25(14)2)27-12-10-26(11-13-27)17-5-3-4-15(20(17)23)16-7-9-19(28)24-21(16)29/h3-6,8,16H,7,9-13H2,1-2H3,(H,24,28,29)
InChIKeyOBAWQSAPKYJBOY-UHFFFAOYSA-N
XLogP2.19
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099235
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-[3-[4-(1,3-benzoxazol-4-yl)piperazin-1-yl]-2-chlorophenyl]piperidine-2,6-dione
CID 178099418
(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione
CID 174105678
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-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099268
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
3-[2-chloro-3-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846438
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 170952357

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione (CID 178099434) is 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione is Cc1ccc(N2CCN(c3cccc(C4CCC(=O)NC4=O)c3Cl)CC2)c(=O)n1C.
What is the InChIKey of 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is OBAWQSAPKYJBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-14-6-8-18(22(30)25(14)2)27-12-10-26(11-13-27)17-5-3-4-15(20(17)23)16-7-9-19(28)24-21(16)29/h3-6,8,16H,7,9-13H2,1-2H3,(H,24,28,29).
What are the key properties of 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 428.92 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178099434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).