N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide

C16H23FN2O2 — CID 119060434

IUPACN-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
SMILESCOc1cc(F)ccc1CNC(=O)CC1CCCCN1C
InChIInChI=1S/C16H23FN2O2/c1-19-8-4-3-5-14(19)10-16(20)18-11-12-6-7-13(17)9-15(12)21-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,18,20)
InChIKeyXSNXVDYWSRAOEU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds5

About N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide

N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide (PubChem CID 119060434) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
PubChem CID119060434
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
SMILESCOc1cc(F)ccc1CNC(=O)CC1CCCCN1C
InChIInChI=1S/C16H23FN2O2/c1-19-8-4-3-5-14(19)10-16(20)18-11-12-6-7-13(17)9-15(12)21-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,18,20)
InChIKeyXSNXVDYWSRAOEU-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid
CID 154905412
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197075
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
N-(2-methoxy-5-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110860294
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
methyl 4-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoate
CID 58575050
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide?
The IUPAC name of N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide (CID 119060434) is N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide?
The canonical SMILES for N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide is COc1cc(F)ccc1CNC(=O)CC1CCCCN1C.
What is the InChIKey of N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide?
The InChIKey is XSNXVDYWSRAOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-19-8-4-3-5-14(19)10-16(20)18-11-12-6-7-13(17)9-15(12)21-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide?
N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide is sourced from PubChem (CID 119060434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).