N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide

C16H23BrN2O2 — CID 60690080

IUPACN-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2CCO)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-12-5-6-15(14(17)10-12)18-16(21)11-19-8-3-2-4-13(19)7-9-20/h5-6,10,13,20H,2-4,7-9,11H2,1H3,(H,18,21)
InChIKeyQRSUBDSIWDHPOK-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.93
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 60690080) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID60690080
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2CCO)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-12-5-6-15(14(17)10-12)18-16(21)11-19-8-3-2-4-13(19)7-9-20/h5-6,10,13,20H,2-4,7-9,11H2,1H3,(H,18,21)
InChIKeyQRSUBDSIWDHPOK-UHFFFAOYSA-N
XLogP2.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63255859
N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852
N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 16781307
N-(2,6-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690462
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110919010
N-(2-bromo-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446623
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225
N-(2-fluoro-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 17403289
N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583449
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923517

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide (CID 60690080) is N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCCCC2CCO)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is QRSUBDSIWDHPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12-5-6-15(14(17)10-12)18-16(21)11-19-8-3-2-4-13(19)7-9-20/h5-6,10,13,20H,2-4,7-9,11H2,1H3,(H,18,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 355.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60690080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).