1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid

C15H18FNO3 — CID 107069665

IUPAC1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)Cc2cccc(F)c2)C1C(=O)O
InChIInChI=1S/C15H18FNO3/c1-10-4-3-7-17(14(10)15(19)20)13(18)9-11-5-2-6-12(16)8-11/h2,5-6,8,10,14H,3-4,7,9H2,1H3,(H,19,20)
InChIKeyQLNNQMFERHEBRQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.08
Rot. Bonds3

About 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069665) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107069665
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)Cc2cccc(F)c2)C1C(=O)O
InChIInChI=1S/C15H18FNO3/c1-10-4-3-7-17(14(10)15(19)20)13(18)9-11-5-2-6-12(16)8-11/h2,5-6,8,10,14H,3-4,7,9H2,1H3,(H,19,20)
InChIKeyQLNNQMFERHEBRQ-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069632
1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069662
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
2-(3-fluorophenyl)-1-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394778
2-(3-fluorophenyl)-1-(2-piperidin-4-ylpyrrolidin-1-yl)ethanone
CID 60979358
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 47079509
2-[(2S)-1-[2-(3-fluorophenyl)acetyl]piperidin-2-yl]acetamide
CID 95294234
1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63393969

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid (CID 107069665) is 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)Cc2cccc(F)c2)C1C(=O)O.
What is the InChIKey of 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is QLNNQMFERHEBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10-4-3-7-17(14(10)15(19)20)13(18)9-11-5-2-6-12(16)8-11/h2,5-6,8,10,14H,3-4,7,9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).