N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide

C14H19BrN2O2 — CID 47223501

IUPACN-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C14H19BrN2O2/c1-9-6-11(15)7-10(2)13(9)16-14(19)17-5-3-4-12(18)8-17/h6-7,12,18H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyQQDBPRKYJOBEJX-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.05
Rot. Bonds1

About N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 47223501) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID47223501
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C14H19BrN2O2/c1-9-6-11(15)7-10(2)13(9)16-14(19)17-5-3-4-12(18)8-17/h6-7,12,18H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyQQDBPRKYJOBEJX-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318320
N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110892772
N-(4-bromo-2,6-dimethylphenyl)azepane-1-carboxamide
CID 47223457
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030508
(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 60569756
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127096
3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 110890870

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide (CID 47223501) is N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)N1CCCC(O)C1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is QQDBPRKYJOBEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-6-11(15)7-10(2)13(9)16-14(19)17-5-3-4-12(18)8-17/h6-7,12,18H,3-5,8H2,1-2H3,(H,16,19).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 47223501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).