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

C15H21BrN2O2 — CID 82969745

IUPAC1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(Br)cc2C(C)O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)13-9-12(16)3-4-14(13)18-7-5-11(6-8-18)15(20)17-2/h3-4,9-11,19H,5-8H2,1-2H3,(H,17,20)
InChIKeyVYRPBMVIZPNOQD-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.46
Rot. Bonds3

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

1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide (PubChem CID 82969745) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide
PubChem CID82969745
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(Br)cc2C(C)O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)13-9-12(16)3-4-14(13)18-7-5-11(6-8-18)15(20)17-2/h3-4,9-11,19H,5-8H2,1-2H3,(H,17,20)
InChIKeyVYRPBMVIZPNOQD-UHFFFAOYSA-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

Analyze 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 114901547
2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970279
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]ethanol
CID 82970945
1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 82969968
1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 82971232
1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 114380391
1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol
CID 82970943
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
3-chloro-4-[4-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 81151366
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414
1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
CID 82958133

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide (CID 82969745) is 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc(Br)cc2C(C)O)CC1.
What is the InChIKey of 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is VYRPBMVIZPNOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(19)13-9-12(16)3-4-14(13)18-7-5-11(6-8-18)15(20)17-2/h3-4,9-11,19H,5-8H2,1-2H3,(H,17,20).
What are the key properties of 1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide?
1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-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-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 82969745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).