(4-carbamoylpiperidin-1-yl)-methylborinic acid

C7H15BN2O2 — CID 23553295

IUPAC(4-carbamoylpiperidin-1-yl)-methylborinic acid
SMILESCB(O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C7H15BN2O2/c1-8(12)10-4-2-6(3-5-10)7(9)11/h6,12H,2-5H2,1H3,(H2,9,11)
InChIKeyQKUVIPZEBURUAM-UHFFFAOYSA-N
MW170.02 g/mol
LogP-0.71
Rot. Bonds2

About (4-carbamoylpiperidin-1-yl)-methylborinic acid

(4-carbamoylpiperidin-1-yl)-methylborinic acid (PubChem CID 23553295) has the molecular formula C7H15BN2O2 and a molecular weight of 170.02 g/mol. Its IUPAC name is (4-carbamoylpiperidin-1-yl)-methylborinic acid.

Molecular Properties

Compound Name(4-carbamoylpiperidin-1-yl)-methylborinic acid
PubChem CID23553295
Molecular FormulaC7H15BN2O2
Molecular Weight170.02 g/mol
Exact Mass170.12
IUPAC Name(4-carbamoylpiperidin-1-yl)-methylborinic acid
SMILESCB(O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C7H15BN2O2/c1-8(12)10-4-2-6(3-5-10)7(9)11/h6,12H,2-5H2,1H3,(H2,9,11)
InChIKeyQKUVIPZEBURUAM-UHFFFAOYSA-N
XLogP-0.71
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.02
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(trideuteriomethyl)piperidine-4-carboxamide
CID 140737186
1-(4-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575168
1-propylpiperidine-4-carboxamide
CID 18678413
1-methylazecane-6-carboxamide
CID 121218409
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride
CID 141032515
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 166069617
1-(methoxymethyl)piperidine-4-carboxamide
CID 78225485
4-carbamoylpiperidine-1-sulfonyl chloride
CID 16786397
cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 51674196
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylpiperidin-1-yl)-methylborinic acid?
The IUPAC name of (4-carbamoylpiperidin-1-yl)-methylborinic acid (CID 23553295) is (4-carbamoylpiperidin-1-yl)-methylborinic acid.
What is the SMILES notation for (4-carbamoylpiperidin-1-yl)-methylborinic acid?
The canonical SMILES for (4-carbamoylpiperidin-1-yl)-methylborinic acid is CB(O)N1CCC(C(N)=O)CC1.
What is the InChIKey of (4-carbamoylpiperidin-1-yl)-methylborinic acid?
The InChIKey is QKUVIPZEBURUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BN2O2/c1-8(12)10-4-2-6(3-5-10)7(9)11/h6,12H,2-5H2,1H3,(H2,9,11).
What are the key properties of (4-carbamoylpiperidin-1-yl)-methylborinic acid?
(4-carbamoylpiperidin-1-yl)-methylborinic acid has a molecular weight of 170.02 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylpiperidin-1-yl)-methylborinic acid is sourced from PubChem (CID 23553295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).