methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid

C13H20BNO3 — CID 160607386

IUPACmethane;[4-(piperidine-1-carbonyl)phenyl]boronic acid
SMILESC.O=C(c1ccc(B(O)O)cc1)N1CCCCC1
InChIInChI=1S/C12H16BNO3.CH4/c15-12(14-8-2-1-3-9-14)10-4-6-11(7-5-10)13(16)17;/h4-7,16-17H,1-3,8-9H2;1H4
InChIKeyRFBBSNFMMIFORR-UHFFFAOYSA-N
MW249.12 g/mol
LogP0.63
Rot. Bonds2

About methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid

methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid (PubChem CID 160607386) has the molecular formula C13H20BNO3 and a molecular weight of 249.12 g/mol. Its IUPAC name is methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid.

Molecular Properties

Compound Namemethane;[4-(piperidine-1-carbonyl)phenyl]boronic acid
PubChem CID160607386
Molecular FormulaC13H20BNO3
Molecular Weight249.12 g/mol
Exact Mass249.15
IUPAC Namemethane;[4-(piperidine-1-carbonyl)phenyl]boronic acid
SMILESC.O=C(c1ccc(B(O)O)cc1)N1CCCCC1
InChIInChI=1S/C12H16BNO3.CH4/c15-12(14-8-2-1-3-9-14)10-4-6-11(7-5-10)13(16)17;/h4-7,16-17H,1-3,8-9H2;1H4
InChIKeyRFBBSNFMMIFORR-UHFFFAOYSA-N
XLogP0.63
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480
1-[4-(azepane-1-carbonyl)phenyl]-2-bromoethanone
CID 87232923
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263

Frequently Asked Questions

What is the IUPAC name of methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid?
The IUPAC name of methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid (CID 160607386) is methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid.
What is the SMILES notation for methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid?
The canonical SMILES for methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid is C.O=C(c1ccc(B(O)O)cc1)N1CCCCC1.
What is the InChIKey of methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid?
The InChIKey is RFBBSNFMMIFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BNO3.CH4/c15-12(14-8-2-1-3-9-14)10-4-6-11(7-5-10)13(16)17;/h4-7,16-17H,1-3,8-9H2;1H4.
What are the key properties of methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid?
methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid has a molecular weight of 249.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[4-(piperidine-1-carbonyl)phenyl]boronic acid is sourced from PubChem (CID 160607386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).