N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide

C16H23FN2O2 — CID 115874067

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC(C)(O)C2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-12-4-5-13(8-14(12)17)9-18-15(20)10-19-7-3-6-16(2,21)11-19/h4-5,8,21H,3,6-7,9-11H2,1-2H3,(H,18,20)
InChIKeyNNAHHLMWGVYFSX-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.60
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide (PubChem CID 115874067) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
PubChem CID115874067
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC(C)(O)C2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-12-4-5-13(8-14(12)17)9-18-15(20)10-19-7-3-6-16(2,21)11-19/h4-5,8,21H,3,6-7,9-11H2,1-2H3,(H,18,20)
InChIKeyNNAHHLMWGVYFSX-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 35427313
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 61297426
N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728803
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 41444161
2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 63871978
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide;hydrochloride
CID 119925543
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 36877786
N-[(2-fluorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728348
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide (CID 115874067) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide is Cc1ccc(CNC(=O)CN2CCCC(C)(O)C2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide?
The InChIKey is NNAHHLMWGVYFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-4-5-13(8-14(12)17)9-18-15(20)10-19-7-3-6-16(2,21)11-19/h4-5,8,21H,3,6-7,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 115874067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).