N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

C15H21BrN2O2 — CID 111112986

IUPACN-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C(C)O)CC2)ccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10-9-13(3-4-14(10)16)17-15(20)18-7-5-12(6-8-18)11(2)19/h3-4,9,11-12,19H,5-8H2,1-2H3,(H,17,20)
InChIKeyHORHLWPAKVCYTD-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.38
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111112986) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111112986
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C(C)O)CC2)ccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10-9-13(3-4-14(10)16)17-15(20)18-7-5-12(6-8-18)11(2)19/h3-4,9,11-12,19H,5-8H2,1-2H3,(H,17,20)
InChIKeyHORHLWPAKVCYTD-UHFFFAOYSA-N
XLogP3.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
4-[(1R)-1-hydroxyethyl]-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 99777913
N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
CID 82094622
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 95312643
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424834

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111112986) is N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(C(C)O)CC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is HORHLWPAKVCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-9-13(3-4-14(10)16)17-15(20)18-7-5-12(6-8-18)11(2)19/h3-4,9,11-12,19H,5-8H2,1-2H3,(H,17,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111112986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).