1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide

C14H17BrN2O3 — CID 47142739

IUPAC1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C14H17BrN2O3/c1-16-13(19)9-4-6-17(7-5-9)14(20)11-8-10(15)2-3-12(11)18/h2-3,8-9,18H,4-7H2,1H3,(H,16,19)
InChIKeyGLXIZVDRDABPTL-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.75
Rot. Bonds2

About 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide

1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 47142739) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID47142739
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C14H17BrN2O3/c1-16-13(19)9-4-6-17(7-5-9)14(20)11-8-10(15)2-3-12(11)18/h2-3,8-9,18H,4-7H2,1H3,(H,16,19)
InChIKeyGLXIZVDRDABPTL-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023690
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 103754069
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207
(5-bromo-2-methylphenyl)-(4-chloropiperidin-1-yl)methanone
CID 65309510
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 60954913
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 114901547
1-(2-amino-5-bromobenzoyl)piperidine-4-carboxylic acid
CID 110451174
1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 114380391

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide (CID 47142739) is 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cc(Br)ccc2O)CC1.
What is the InChIKey of 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is GLXIZVDRDABPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-16-13(19)9-4-6-17(7-5-9)14(20)11-8-10(15)2-3-12(11)18/h2-3,8-9,18H,4-7H2,1H3,(H,16,19).
What are the key properties of 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide?
1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 47142739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).