N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride

C18H28BClN2O3 — CID 176730943

IUPACN-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride
SMILESCC1(C)OB(c2cccc(C(=O)NC3CCNCC3)c2)OC1(C)C.Cl
InChIInChI=1S/C18H27BN2O3.ClH/c1-17(2)18(3,4)24-19(23-17)14-7-5-6-13(12-14)16(22)21-15-8-10-20-11-9-15;/h5-7,12,15,20H,8-11H2,1-4H3,(H,21,22);1H
InChIKeyCFJJDUCNBGXKGE-UHFFFAOYSA-N
MW366.70 g/mol
LogP1.89
Rot. Bonds3

About N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride

N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride (PubChem CID 176730943) has the molecular formula C18H28BClN2O3 and a molecular weight of 366.70 g/mol. Its IUPAC name is N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride
PubChem CID176730943
Molecular FormulaC18H28BClN2O3
Molecular Weight366.70 g/mol
Exact Mass366.19
IUPAC NameN-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride
SMILESCC1(C)OB(c2cccc(C(=O)NC3CCNCC3)c2)OC1(C)C.Cl
InChIInChI=1S/C18H27BN2O3.ClH/c1-17(2)18(3,4)24-19(23-17)14-7-5-6-13(12-14)16(22)21-15-8-10-20-11-9-15;/h5-7,12,15,20H,8-11H2,1-4H3,(H,21,22);1H
InChIKeyCFJJDUCNBGXKGE-UHFFFAOYSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.70
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylcyclopropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176730928
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
8-azabicyclo[3.2.1]octan-3-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 171939449
1-cyclobutyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 154814934
N-(6-hydroxyhexyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 46738029
N-cyclopropyl-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164513669
N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119386172
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
N-[3-(dimethylamino)propyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 2769538
methyl 2-oxo-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CID 123419107
N-(2-phenylpropan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 175129057
3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
CID 119390450

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride (CID 176730943) is N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride is CC1(C)OB(c2cccc(C(=O)NC3CCNCC3)c2)OC1(C)C.Cl.
What is the InChIKey of N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride?
The InChIKey is CFJJDUCNBGXKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BN2O3.ClH/c1-17(2)18(3,4)24-19(23-17)14-7-5-6-13(12-14)16(22)21-15-8-10-20-11-9-15;/h5-7,12,15,20H,8-11H2,1-4H3,(H,21,22);1H.
What are the key properties of N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride?
N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride has a molecular weight of 366.70 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 176730943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).