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

C29H26FN2O4- — CID 22127103

IUPAC4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(F)cc2)C(OCc2cc(OCc3cccnc3)c3ccccc3c2)C1
InChIInChI=1S/C29H27FN2O4/c30-24-9-7-22(8-10-24)26-11-13-32(29(33)34)17-28(26)36-19-21-14-23-5-1-2-6-25(23)27(15-21)35-18-20-4-3-12-31-16-20/h1-10,12,14-16,26,28H,11,13,17-19H2,(H,33,34)/p-1
InChIKeyXGBTXESVAGJCPH-UHFFFAOYSA-M
MW485.54 g/mol
LogP4.67
Rot. Bonds7

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

4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate (PubChem CID 22127103) has the molecular formula C29H26FN2O4- and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
PubChem CID22127103
Molecular FormulaC29H26FN2O4-
Molecular Weight485.54 g/mol
Exact Mass485.19
IUPAC Name4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(F)cc2)C(OCc2cc(OCc3cccnc3)c3ccccc3c2)C1
InChIInChI=1S/C29H27FN2O4/c30-24-9-7-22(8-10-24)26-11-13-32(29(33)34)17-28(26)36-19-21-14-23-5-1-2-6-25(23)27(15-21)35-18-20-4-3-12-31-16-20/h1-10,12,14-16,26,28H,11,13,17-19H2,(H,33,34)/p-1
InChIKeyXGBTXESVAGJCPH-UHFFFAOYSA-M
XLogP4.67
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
CID 22126836
4-[4-[2-(pyridin-3-ylmethoxy)ethoxy]phenyl]-3-[[4-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128786
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22126951
2-trimethylsilylethyl 3-[[4-(2-carbamoyloxyethoxy)naphthalen-2-yl]methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 54560816
3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 22128638
4-[4-(2-pyridin-2-ylsulfanylethyl)phenyl]-3-[[4-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128357
4-[3-(hydroxymethyl)phenyl]-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128922
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine
CID 10160522
4-(3-methoxycarbonylphenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128162

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate (CID 22127103) is 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate is O=C([O-])N1CCC(c2ccc(F)cc2)C(OCc2cc(OCc3cccnc3)c3ccccc3c2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is XGBTXESVAGJCPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H27FN2O4/c30-24-9-7-22(8-10-24)26-11-13-32(29(33)34)17-28(26)36-19-21-14-23-5-1-2-6-25(23)27(15-21)35-18-20-4-3-12-31-16-20/h1-10,12,14-16,26,28H,11,13,17-19H2,(H,33,34)/p-1.
What are the key properties of 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 485.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 22127103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).