3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione

C18H19ClN4O3 — CID 178070637

IUPAC3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3cn(C4CCCCO4)nn3)c2Cl)C(=O)N1
InChIInChI=1S/C18H19ClN4O3/c19-17-11(12-7-8-15(24)20-18(12)25)4-3-5-13(17)14-10-23(22-21-14)16-6-1-2-9-26-16/h3-5,10,12,16H,1-2,6-9H2,(H,20,24,25)
InChIKeyMVSQMSIPBOAABF-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.82
Rot. Bonds3

About 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione (PubChem CID 178070637) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione
PubChem CID178070637
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(-c3cn(C4CCCCO4)nn3)c2Cl)C(=O)N1
InChIInChI=1S/C18H19ClN4O3/c19-17-11(12-7-8-15(24)20-18(12)25)4-3-5-13(17)14-10-23(22-21-14)16-6-1-2-9-26-16/h3-5,10,12,16H,1-2,6-9H2,(H,20,24,25)
InChIKeyMVSQMSIPBOAABF-UHFFFAOYSA-N
XLogP2.82
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.82
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

(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
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-[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-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171845993
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725
(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-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione
CID 171846480
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 97303764
3-[2-chloro-3-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846438

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione (CID 178070637) is 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(-c3cn(C4CCCCO4)nn3)c2Cl)C(=O)N1.
What is the InChIKey of 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione?
The InChIKey is MVSQMSIPBOAABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-17-11(12-7-8-15(24)20-18(12)25)4-3-5-13(17)14-10-23(22-21-14)16-6-1-2-9-26-16/h3-5,10,12,16H,1-2,6-9H2,(H,20,24,25).
What are the key properties of 3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione has a molecular weight of 374.83 g/mol, XLogP of 2.82, 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-[1-(oxan-2-yl)triazol-4-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178070637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).