N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide

C13H17BrN2O2 — CID 47032301

IUPACN-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(O)C2)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-9-4-5-12(11(14)7-9)15-13(18)16-6-2-3-10(17)8-16/h4-5,7,10,17H,2-3,6,8H2,1H3,(H,15,18)
InChIKeyNXYAQXBWFSHEOS-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.75
Rot. Bonds1

About N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide

N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 47032301) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID47032301
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(O)C2)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-9-4-5-12(11(14)7-9)15-13(18)16-6-2-3-10(17)8-16/h4-5,7,10,17H,2-3,6,8H2,1H3,(H,15,18)
InChIKeyNXYAQXBWFSHEOS-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide (CID 47032301) is N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC(O)C2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is NXYAQXBWFSHEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9-4-5-12(11(14)7-9)15-13(18)16-6-2-3-10(17)8-16/h4-5,7,10,17H,2-3,6,8H2,1H3,(H,15,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide?
N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 47032301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).