1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide

C15H21BrN2O2 — CID 82970203

IUPAC1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide
SMILESCC(O)c1ccc(Br)cc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C15H21BrN2O2/c1-9-3-4-11(15(17)20)8-18(9)14-7-12(16)5-6-13(14)10(2)19/h5-7,9-11,19H,3-4,8H2,1-2H3,(H2,17,20)
InChIKeyFTVDPYQHMGAWFV-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.59
Rot. Bonds3

About 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide

1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 82970203) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide
PubChem CID82970203
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide
SMILESCC(O)c1ccc(Br)cc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C15H21BrN2O2/c1-9-3-4-11(15(17)20)8-18(9)14-7-12(16)5-6-13(14)10(2)19/h5-7,9-11,19H,3-4,8H2,1-2H3,(H2,17,20)
InChIKeyFTVDPYQHMGAWFV-UHFFFAOYSA-N
XLogP2.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide (CID 82970203) is 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide is CC(O)c1ccc(Br)cc1N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is FTVDPYQHMGAWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-9-3-4-11(15(17)20)8-18(9)14-7-12(16)5-6-13(14)10(2)19/h5-7,9-11,19H,3-4,8H2,1-2H3,(H2,17,20).
What are the key properties of 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide?
1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 82970203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).