1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide

C13H15BrN2O3 — CID 47080579

IUPAC1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C13H15BrN2O3/c14-9-1-2-10(11(17)7-9)13(19)16-5-3-8(4-6-16)12(15)18/h1-2,7-8,17H,3-6H2,(H2,15,18)
InChIKeyDCMCOEKXTOPZAU-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.49
Rot. Bonds2

About 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide

1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide (PubChem CID 47080579) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
PubChem CID47080579
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C13H15BrN2O3/c14-9-1-2-10(11(17)7-9)13(19)16-5-3-8(4-6-16)12(15)18/h1-2,7-8,17H,3-6H2,(H2,15,18)
InChIKeyDCMCOEKXTOPZAU-UHFFFAOYSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662371
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588
1-(2-amino-4-bromobenzoyl)piperidine-4-carboxylic acid
CID 79722642
(4-bromo-2-hydroxyphenyl)-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509849
1-(2-bromo-5-sulfanylbenzoyl)piperidine-4-carboxamide
CID 107020826
1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
CID 80948959

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide (CID 47080579) is 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(Br)cc2O)CC1.
What is the InChIKey of 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide?
The InChIKey is DCMCOEKXTOPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-9-1-2-10(11(17)7-9)13(19)16-5-3-8(4-6-16)12(15)18/h1-2,7-8,17H,3-6H2,(H2,15,18).
What are the key properties of 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide?
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 47080579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).