3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid

C24H23FN2O3 — CID 71186195

IUPAC3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid
SMILESCc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(F)cccc23)cccc1C(=O)O
InChIInChI=1S/C24H23FN2O3/c1-15-16(24(29)30)7-6-10-20(15)26-21-12-11-18(22-17(21)8-5-9-19(22)25)23(28)27-13-3-2-4-14-27/h5-12,26H,2-4,13-14H2,1H3,(H,29,30)
InChIKeyGMNPIXSMBHZBJI-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.36
Rot. Bonds4

About 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid

3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid (PubChem CID 71186195) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid
PubChem CID71186195
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid
SMILESCc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(F)cccc23)cccc1C(=O)O
InChIInChI=1S/C24H23FN2O3/c1-15-16(24(29)30)7-6-10-20(15)26-21-12-11-18(22-17(21)8-5-9-19(22)25)23(28)27-13-3-2-4-14-27/h5-12,26H,2-4,13-14H2,1H3,(H,29,30)
InChIKeyGMNPIXSMBHZBJI-UHFFFAOYSA-N
XLogP5.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71186269
[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone
CID 71185988
methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate
CID 71186080
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71203996
8-(azepane-1-carbonyl)naphthalene-1-carboxylic acid
CID 16776667
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 35809689
azepan-1-yl-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 36675871
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid?
The IUPAC name of 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid (CID 71186195) is 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid is Cc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(F)cccc23)cccc1C(=O)O.
What is the InChIKey of 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid?
The InChIKey is GMNPIXSMBHZBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-15-16(24(29)30)7-6-10-20(15)26-21-12-11-18(22-17(21)8-5-9-19(22)25)23(28)27-13-3-2-4-14-27/h5-12,26H,2-4,13-14H2,1H3,(H,29,30).
What are the key properties of 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid?
3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid has a molecular weight of 406.46 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 71186195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).