5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide

C15H21BrN2O2 — CID 103603311

IUPAC5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-2-7-18-8-5-12(6-9-18)17-15(20)13-10-11(16)3-4-14(13)19/h3-4,10,12,19H,2,5-9H2,1H3,(H,17,20)
InChIKeyHKDJCOGPWNYWAE-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.76
Rot. Bonds4

About 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide

5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 103603311) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID103603311
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-2-7-18-8-5-12(6-9-18)17-15(20)13-10-11(16)3-4-14(13)19/h3-4,10,12,19H,2,5-9H2,1H3,(H,17,20)
InChIKeyHKDJCOGPWNYWAE-UHFFFAOYSA-N
XLogP2.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 25235995
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
CID 63625545
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide (CID 103603311) is 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2cc(Br)ccc2O)CC1.
What is the InChIKey of 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is HKDJCOGPWNYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-2-7-18-8-5-12(6-9-18)17-15(20)13-10-11(16)3-4-14(13)19/h3-4,10,12,19H,2,5-9H2,1H3,(H,17,20).
What are the key properties of 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide?
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 341.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 103603311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).