(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione

C19H19N3O3 — CID 167001494

IUPAC(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
SMILESCN(C)Cc1ccc2c(ccc3onc([C@H]4CCC(=O)NC4=O)c32)c1
InChIInChI=1S/C19H19N3O3/c1-22(2)10-11-3-5-13-12(9-11)4-7-15-17(13)18(21-25-15)14-6-8-16(23)20-19(14)24/h3-5,7,9,14H,6,8,10H2,1-2H3,(H,20,23,24)/t14-/m1/s1
InChIKeyYFTJKUTWMWTPGZ-CQSZACIVSA-N
MW337.38 g/mol
LogP2.56
Rot. Bonds3

About (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione

(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione (PubChem CID 167001494) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
PubChem CID167001494
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
SMILESCN(C)Cc1ccc2c(ccc3onc([C@H]4CCC(=O)NC4=O)c32)c1
InChIInChI=1S/C19H19N3O3/c1-22(2)10-11-3-5-13-12(9-11)4-7-15-17(13)18(21-25-15)14-6-8-16(23)20-19(14)24/h3-5,7,9,14H,6,8,10H2,1-2H3,(H,20,23,24)/t14-/m1/s1
InChIKeyYFTJKUTWMWTPGZ-CQSZACIVSA-N
XLogP2.56
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione (CID 167001494) is (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione is CN(C)Cc1ccc2c(ccc3onc([C@H]4CCC(=O)NC4=O)c32)c1.
What is the InChIKey of (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione?
The InChIKey is YFTJKUTWMWTPGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22(2)10-11-3-5-13-12(9-11)4-7-15-17(13)18(21-25-15)14-6-8-16(23)20-19(14)24/h3-5,7,9,14H,6,8,10H2,1-2H3,(H,20,23,24)/t14-/m1/s1.
What are the key properties of (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione?
(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione has a molecular weight of 337.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167001494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).