(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid

C14H16FNO3 — CID 81119715

IUPAC(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1ccc(F)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H16FNO3/c1-9-4-5-12(15)11(7-9)13(17)16-6-2-3-10(8-16)14(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyUJUBBTYDJGGZLG-SNVBAGLBSA-N
MW265.28 g/mol
LogP2.07
Rot. Bonds2

About (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid

(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 81119715) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
PubChem CID81119715
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1ccc(F)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H16FNO3/c1-9-4-5-12(15)11(7-9)13(17)16-6-2-3-10(8-16)14(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyUJUBBTYDJGGZLG-SNVBAGLBSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 24710129
1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 126773133
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
[3-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186874
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
ethyl 1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxylate
CID 79765192
1-(5-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63006897
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid (CID 81119715) is (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid is Cc1ccc(F)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is UJUBBTYDJGGZLG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9-4-5-12(15)11(7-9)13(17)16-6-2-3-10(8-16)14(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81119715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).