1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide

C15H21BrN2O2 — CID 103196774

IUPAC1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc([C@@H](C)O)cc2Br)C1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)11-5-6-14(13(16)8-11)18-7-3-4-12(9-18)15(20)17-2/h5-6,8,10,12,19H,3-4,7,9H2,1-2H3,(H,17,20)/t10-,12?/m1/s1
InChIKeyGBEDSXSWKCJTPW-RWANSRKNSA-N
MW341.25 g/mol
LogP2.46
Rot. Bonds3

About 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide

1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103196774) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
PubChem CID103196774
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc([C@@H](C)O)cc2Br)C1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)11-5-6-14(13(16)8-11)18-7-3-4-12(9-18)15(20)17-2/h5-6,8,10,12,19H,3-4,7,9H2,1-2H3,(H,17,20)/t10-,12?/m1/s1
InChIKeyGBEDSXSWKCJTPW-RWANSRKNSA-N
XLogP2.46
TPSA52.57 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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]pyrrolidine-3-carboxamide
CID 114082228
1-[4-(azepan-1-yl)-3-bromophenyl]ethanol
CID 62907818
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
1-[3-bromo-4-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626299
(1R)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanol
CID 78992812
1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol
CID 62910076
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
1-[3-bromo-4-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
CID 63609764

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide (CID 103196774) is 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc([C@@H](C)O)cc2Br)C1.
What is the InChIKey of 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is GBEDSXSWKCJTPW-RWANSRKNSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(19)11-5-6-14(13(16)8-11)18-7-3-4-12(9-18)15(20)17-2/h5-6,8,10,12,19H,3-4,7,9H2,1-2H3,(H,17,20)/t10-,12?/m1/s1.
What are the key properties of 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide?
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).