4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid

C29H27FN2O4 — CID 22126836

IUPAC4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2cc(OCc3ccncc3)c3ccccc3c2)C1
InChIInChI=1S/C29H27FN2O4/c30-24-7-5-22(6-8-24)26-11-14-32(29(33)34)17-28(26)36-19-21-15-23-3-1-2-4-25(23)27(16-21)35-18-20-9-12-31-13-10-20/h1-10,12-13,15-16,26,28H,11,14,17-19H2,(H,33,34)
InChIKeyXURAVEAAZKXBBD-UHFFFAOYSA-N
MW486.54 g/mol
LogP6.01
Rot. Bonds7

About 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid (PubChem CID 22126836) has the molecular formula C29H27FN2O4 and a molecular weight of 486.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
PubChem CID22126836
Molecular FormulaC29H27FN2O4
Molecular Weight486.54 g/mol
Exact Mass486.20
IUPAC Name4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2cc(OCc3ccncc3)c3ccccc3c2)C1
InChIInChI=1S/C29H27FN2O4/c30-24-7-5-22(6-8-24)26-11-14-32(29(33)34)17-28(26)36-19-21-15-23-3-1-2-4-25(23)27(16-21)35-18-20-9-12-31-13-10-20/h1-10,12-13,15-16,26,28H,11,14,17-19H2,(H,33,34)
InChIKeyXURAVEAAZKXBBD-UHFFFAOYSA-N
XLogP6.01
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22126951
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103
4-[3-(hydroxymethyl)phenyl]-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128922
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
4-(3-methoxycarbonylphenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128162
4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22127187
4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128461
2-trimethylsilylethyl 3-[[4-(2-carbamoyloxyethoxy)naphthalen-2-yl]methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 54560816
(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine
CID 10160522
3-[(4-hydroxynaphthalen-2-yl)methoxy]-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylic acid
CID 22127119
2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 22127049
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine-1-carboxylic acid
CID 22126829

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid (CID 22126836) is 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2cc(OCc3ccncc3)c3ccccc3c2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid?
The InChIKey is XURAVEAAZKXBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O4/c30-24-7-5-22(6-8-24)26-11-14-32(29(33)34)17-28(26)36-19-21-15-23-3-1-2-4-25(23)27(16-21)35-18-20-9-12-31-13-10-20/h1-10,12-13,15-16,26,28H,11,14,17-19H2,(H,33,34).
What are the key properties of 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid?
4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid has a molecular weight of 486.54 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 22126836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).