CID 174088430

C19H18BNO2 — CID 174088430

IUPAC—
SMILES[B]Cc1ccc(-c2ccc(CC3CCC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C19H18BNO2/c20-12-14-3-7-16(8-4-14)15-5-1-13(2-6-15)11-17-9-10-18(22)21-19(17)23/h1-8,17H,9-12H2,(H,21,22,23)
InChIKeyPIVHQJIXBDXPBQ-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.62
Rot. Bonds4

About CID 174088430

CID 174088430 (PubChem CID 174088430) has the molecular formula C19H18BNO2 and a molecular weight of 303.17 g/mol.

Molecular Properties

Compound NameCID 174088430
PubChem CID174088430
Molecular FormulaC19H18BNO2
Molecular Weight303.17 g/mol
Exact Mass303.14
IUPAC Name—
SMILES[B]Cc1ccc(-c2ccc(CC3CCC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C19H18BNO2/c20-12-14-3-7-16(8-4-14)15-5-1-13(2-6-15)11-17-9-10-18(22)21-19(17)23/h1-8,17H,9-12H2,(H,21,22,23)
InChIKeyPIVHQJIXBDXPBQ-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Glutethimide
CID 3487
3-Phenylglutarimide
CID 101452
1-[2-(4-Phenylphenyl)acetyl]piperidine-4-carboxamide
CID 4450219
3-Phenyl-2,6-piperidinedione
CID 85686
Glutarimide, 2-methyl-2-phenyl-
CID 203309
2,6-Dioxo-4-phenyl-piperidine-3-carbonitrile
CID 224791
3-(4-Trifluoromethylbenzyl)piperidine-2,6-dione
CID 356411
3-Benzylpiperidine-2,6-dione
CID 14531158
3-[(4-Fluorophenyl)methyl]piperidine-2,6-dione
CID 14531161
4-Methyl-4-phenylpiperidine-2,6-dione
CID 95854
Glutarimide, 3-ethyl-3-phenyl-
CID 99647
2-Piperidinone, 4-(4-methylphenyl)-3-phenyl-, cis-
CID 3065195

Frequently Asked Questions

What is the IUPAC name of CID 174088430?
The IUPAC name of CID 174088430 (CID 174088430) is not available.
What is the SMILES notation for CID 174088430?
The canonical SMILES for CID 174088430 is [B]Cc1ccc(-c2ccc(CC3CCC(=O)NC3=O)cc2)cc1.
What is the InChIKey of CID 174088430?
The InChIKey is PIVHQJIXBDXPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BNO2/c20-12-14-3-7-16(8-4-14)15-5-1-13(2-6-15)11-17-9-10-18(22)21-19(17)23/h1-8,17H,9-12H2,(H,21,22,23).
What are the key properties of CID 174088430?
CID 174088430 has a molecular weight of 303.17 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174088430 is sourced from PubChem (CID 174088430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).