2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide

C14H19FN2O — CID 171690935

IUPAC2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCCC(CF)C1)Nc1ccccc1
InChIInChI=1S/C14H19FN2O/c15-9-12-5-4-8-17(10-12)11-14(18)16-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,16,18)
InChIKeyPTYZQTPVPQWADK-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.31
Rot. Bonds4

About 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide

2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide (PubChem CID 171690935) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
PubChem CID171690935
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCCC(CF)C1)Nc1ccccc1
InChIInChI=1S/C14H19FN2O/c15-9-12-5-4-8-17(10-12)11-14(18)16-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,16,18)
InChIKeyPTYZQTPVPQWADK-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
CID 63847086
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-(3,5-dimethoxyphenyl)-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171337842
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
2-[1-(2-anilino-2-oxoethyl)pyrrolidin-3-yl]acetamide
CID 19705544
N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171335089
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 86972171
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide (CID 171690935) is 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCCC(CF)C1)Nc1ccccc1.
What is the InChIKey of 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is PTYZQTPVPQWADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-9-12-5-4-8-17(10-12)11-14(18)16-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,16,18).
What are the key properties of 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide?
2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 250.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 171690935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).