1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid

C16H20FNO3 — CID 63123576

IUPAC1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FNO3/c1-16(15(20)21)8-10-18(11-9-16)14(19)7-4-12-2-5-13(17)6-3-12/h2-3,5-6H,4,7-11H2,1H3,(H,20,21)
InChIKeyJXTUDJNLVQOKOY-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.47
Rot. Bonds4

About 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid

1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123576) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123576
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FNO3/c1-16(15(20)21)8-10-18(11-9-16)14(19)7-4-12-2-5-13(17)6-3-12/h2-3,5-6H,4,7-11H2,1H3,(H,20,21)
InChIKeyJXTUDJNLVQOKOY-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319
1-[3-(4-ethylphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146439
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
1-[4-(dimethylamino)-4-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689549
3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 70307419
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256889
4-[3-(3,3-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzoic acid
CID 119185589
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797362
4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
CID 110611459

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid (CID 63123576) is 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is JXTUDJNLVQOKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-16(15(20)21)8-10-18(11-9-16)14(19)7-4-12-2-5-13(17)6-3-12/h2-3,5-6H,4,7-11H2,1H3,(H,20,21).
What are the key properties of 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid?
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).