3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione

C22H23ClN4O3 — CID 171846709

IUPAC3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
SMILESCN1CCCN(Cc2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cn2)C1=O
InChIInChI=1S/C22H23ClN4O3/c1-26-10-3-11-27(22(26)30)13-15-7-6-14(12-24-15)16-4-2-5-17(20(16)23)18-8-9-19(28)25-21(18)29/h2,4-7,12,18H,3,8-11,13H2,1H3,(H,25,28,29)
InChIKeyRZZVXQBQIPXBRC-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.18
Rot. Bonds4

About 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione (PubChem CID 171846709) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
PubChem CID171846709
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
SMILESCN1CCCN(Cc2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cn2)C1=O
InChIInChI=1S/C22H23ClN4O3/c1-26-10-3-11-27(22(26)30)13-15-7-6-14(12-24-15)16-4-2-5-17(20(16)23)18-8-9-19(28)25-21(18)29/h2,4-7,12,18H,3,8-11,13H2,1H3,(H,25,28,29)
InChIKeyRZZVXQBQIPXBRC-UHFFFAOYSA-N
XLogP3.18
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.18
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-[6-[(2-oxo-1,3-oxazinan-3-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171845879
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
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-[(2,2-dimethyl-5-oxomorpholin-4-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846416
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
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-[2-chloro-3-[6-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171846527
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
CID 171845915
3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
CID 171846214
(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione
CID 171845963
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione (CID 171846709) is 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione is CN1CCCN(Cc2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cn2)C1=O.
What is the InChIKey of 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione?
The InChIKey is RZZVXQBQIPXBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-26-10-3-11-27(22(26)30)13-15-7-6-14(12-24-15)16-4-2-5-17(20(16)23)18-8-9-19(28)25-21(18)29/h2,4-7,12,18H,3,8-11,13H2,1H3,(H,25,28,29).
What are the key properties of 3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione has a molecular weight of 426.90 g/mol, XLogP of 3.18, 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-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).