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

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(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
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2-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]acetic acid
CID 165078631
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
N-cyclopentyl-2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]piperidin-1-yl]acetamide
CID 165048097
3-[[3-chloro-4-(4-piperidin-4-ylpiperidin-1-yl)phenyl]methyl]piperidine-2,6-dione
CID 165007017
3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione
CID 120863100
3-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-2,5-dione
CID 82159047
3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione
CID 158815109
4-[[(2,6-dioxopiperidin-3-yl)methylamino]methyl]benzoic acid
CID 18762687
3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione
CID 159174165

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).