CID 123280333

C15H25BN3O3 — CID 123280333

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1cnn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C15H25BN3O3/c1-14(2,21)15(3,4)22-16-12-9-17-19(10-12)11-13(20)18-7-5-6-8-18/h9-10,21H,5-8,11H2,1-4H3
InChIKeyOXJPINMCDOXCOU-UHFFFAOYSA-N
MW306.19 g/mol
LogP0.32
Rot. Bonds6

About CID 123280333

CID 123280333 (PubChem CID 123280333) has the molecular formula C15H25BN3O3 and a molecular weight of 306.19 g/mol.

Molecular Properties

Compound NameCID 123280333
PubChem CID123280333
Molecular FormulaC15H25BN3O3
Molecular Weight306.19 g/mol
Exact Mass306.20
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1cnn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C15H25BN3O3/c1-14(2,21)15(3,4)22-16-12-9-17-19(10-12)11-13(20)18-7-5-6-8-18/h9-10,21H,5-8,11H2,1-4H3
InChIKeyOXJPINMCDOXCOU-UHFFFAOYSA-N
XLogP0.32
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-(4-ethynylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
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1-(azepan-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 17383712
2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 122240516
1-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 170994978
1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
CID 19622291
1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502855
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315409
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431
2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860

Frequently Asked Questions

What is the IUPAC name of CID 123280333?
The IUPAC name of CID 123280333 (CID 123280333) is not available.
What is the SMILES notation for CID 123280333?
The canonical SMILES for CID 123280333 is CC(C)(O)C(C)(C)O[B]c1cnn(CC(=O)N2CCCC2)c1.
What is the InChIKey of CID 123280333?
The InChIKey is OXJPINMCDOXCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BN3O3/c1-14(2,21)15(3,4)22-16-12-9-17-19(10-12)11-13(20)18-7-5-6-8-18/h9-10,21H,5-8,11H2,1-4H3.
What are the key properties of CID 123280333?
CID 123280333 has a molecular weight of 306.19 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123280333 is sourced from PubChem (CID 123280333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).