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

C15H17ClN2O3 — CID 174105678

IUPAC(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione
SMILESCOc1c(N2CCC2)ccc([C@@H]2CCC(=O)NC2=O)c1Cl
InChIInChI=1S/C15H17ClN2O3/c1-21-14-11(18-7-2-8-18)5-3-9(13(14)16)10-4-6-12(19)17-15(10)20/h3,5,10H,2,4,6-8H2,1H3,(H,17,19,20)/t10-/m0/s1
InChIKeyOFOJWDSIFUYKBN-JTQLQIEISA-N
MW308.77 g/mol
LogP2.08
Rot. Bonds3

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

(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione (PubChem CID 174105678) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is (3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione
PubChem CID174105678
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione
SMILESCOc1c(N2CCC2)ccc([C@@H]2CCC(=O)NC2=O)c1Cl
InChIInChI=1S/C15H17ClN2O3/c1-21-14-11(18-7-2-8-18)5-3-9(13(14)16)10-4-6-12(19)17-15(10)20/h3,5,10H,2,4,6-8H2,1H3,(H,17,19,20)/t10-/m0/s1
InChIKeyOFOJWDSIFUYKBN-JTQLQIEISA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.08
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-methoxy-4-[3-[[2-oxo-1-(spiro[3.3]heptan-2-ylmethoxy)ethenyl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
CID 176528961
(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
CID 174105700
3-[2-chloro-3-[4-(1,6-dimethyl-2-oxo-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099434
3-[2-chloro-3-[4-(2-ethoxy-3-pyridinyl)piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099384
3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099235
tert-butyl 6-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 178099304
3-[3-[4-(1,3-benzoxazol-4-yl)piperazin-1-yl]-2-chlorophenyl]piperidine-2,6-dione
CID 178099418
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
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione
CID 170132586
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-chloro-3-methoxyphenyl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione (CID 174105678) is (3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione is COc1c(N2CCC2)ccc([C@@H]2CCC(=O)NC2=O)c1Cl.
What is the InChIKey of (3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione?
The InChIKey is OFOJWDSIFUYKBN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-21-14-11(18-7-2-8-18)5-3-9(13(14)16)10-4-6-12(19)17-15(10)20/h3,5,10H,2,4,6-8H2,1H3,(H,17,19,20)/t10-/m0/s1.
What are the key properties of (3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione?
(3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione has a molecular weight of 308.77 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(azetidin-1-yl)-2-chloro-3-methoxyphenyl]piperidine-2,6-dione is sourced from PubChem (CID 174105678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).