(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione

C14H15ClN2O2 — CID 174105700

IUPAC(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](c2ccc(N3CCC3)cc2Cl)C(=O)N1
InChIInChI=1S/C14H15ClN2O2/c15-12-8-9(17-6-1-7-17)2-3-10(12)11-4-5-13(18)16-14(11)19/h2-3,8,11H,1,4-7H2,(H,16,18,19)/t11-/m0/s1
InChIKeyMLOLUIQCGWBVAG-NSHDSACASA-N
MW278.74 g/mol
LogP2.07
Rot. Bonds2

About (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione

(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione (PubChem CID 174105700) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
PubChem CID174105700
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](c2ccc(N3CCC3)cc2Cl)C(=O)N1
InChIInChI=1S/C14H15ClN2O2/c15-12-8-9(17-6-1-7-17)2-3-10(12)11-4-5-13(18)16-14(11)19/h2-3,8,11H,1,4-7H2,(H,16,18,19)/t11-/m0/s1
InChIKeyMLOLUIQCGWBVAG-NSHDSACASA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione
CID 174105678
3-[4-[(3R)-4-[(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)methyl]-3-methylpiperazin-1-yl]-2-chlorophenyl]piperidine-2,6-dione
CID 171598570
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
CID 168874545
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione
CID 171541166
5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596470
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099235
3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177052114
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione (CID 174105700) is (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione is O=C1CC[C@@H](c2ccc(N3CCC3)cc2Cl)C(=O)N1.
What is the InChIKey of (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione?
The InChIKey is MLOLUIQCGWBVAG-NSHDSACASA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-12-8-9(17-6-1-7-17)2-3-10(12)11-4-5-13(18)16-14(11)19/h2-3,8,11H,1,4-7H2,(H,16,18,19)/t11-/m0/s1.
What are the key properties of (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione?
(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione has a molecular weight of 278.74 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 174105700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).