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

C22H25ClN4O3 — CID 178099384

IUPAC3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESCCOc1ncccc1N1CCN(c2cccc(C3CCC(=O)NC3=O)c2Cl)CC1
InChIInChI=1S/C22H25ClN4O3/c1-2-30-22-18(7-4-10-24-22)27-13-11-26(12-14-27)17-6-3-5-15(20(17)23)16-8-9-19(28)25-21(16)29/h3-7,10,16H,2,8-9,11-14H2,1H3,(H,25,28,29)
InChIKeyGIGDAIHBGBQITI-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.98
Rot. Bonds5

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

3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 178099384) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID178099384
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
SMILESCCOc1ncccc1N1CCN(c2cccc(C3CCC(=O)NC3=O)c2Cl)CC1
InChIInChI=1S/C22H25ClN4O3/c1-2-30-22-18(7-4-10-24-22)27-13-11-26(12-14-27)17-6-3-5-15(20(17)23)16-8-9-19(28)25-21(16)29/h3-7,10,16H,2,8-9,11-14H2,1H3,(H,25,28,29)
InChIKeyGIGDAIHBGBQITI-UHFFFAOYSA-N
XLogP2.98
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.98
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-(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-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099235
3-[2-chloro-3-[4-[1-(2,2-difluoroethyl)-6-oxopyrimidin-5-yl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099186
3-[2-chloro-3-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099268
tert-butyl 6-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 178099304
(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione
CID 174105678
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
CID 171846214
3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846090
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
3-[2-chloro-3-[4-[(8-oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846772

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione (CID 178099384) is 3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione is CCOc1ncccc1N1CCN(c2cccc(C3CCC(=O)NC3=O)c2Cl)CC1.
What is the InChIKey of 3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is GIGDAIHBGBQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-2-30-22-18(7-4-10-24-22)27-13-11-26(12-14-27)17-6-3-5-15(20(17)23)16-8-9-19(28)25-21(16)29/h3-7,10,16H,2,8-9,11-14H2,1H3,(H,25,28,29).
What are the key properties of 3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 428.92 g/mol, XLogP of 2.98, 5 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-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178099384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).