1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate

C24H26N2O5S — CID 67326036

IUPAC1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OCCC1CCN(C(=O)OCc2nccs2)CC1
InChIInChI=1S/C24H26N2O5S/c1-29-23(27)20-14-18-4-2-3-5-19(18)15-21(20)30-12-8-17-6-10-26(11-7-17)24(28)31-16-22-25-9-13-32-22/h2-5,9,13-15,17H,6-8,10-12,16H2,1H3
InChIKeyNMOYCIGAWHGJSP-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.90
Rot. Bonds7

About 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate

1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate (PubChem CID 67326036) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate
PubChem CID67326036
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OCCC1CCN(C(=O)OCc2nccs2)CC1
InChIInChI=1S/C24H26N2O5S/c1-29-23(27)20-14-18-4-2-3-5-19(18)15-21(20)30-12-8-17-6-10-26(11-7-17)24(28)31-16-22-25-9-13-32-22/h2-5,9,13-15,17H,6-8,10-12,16H2,1H3
InChIKeyNMOYCIGAWHGJSP-UHFFFAOYSA-N
XLogP4.90
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate (CID 67326036) is 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate is COC(=O)c1cc2ccccc2cc1OCCC1CCN(C(=O)OCc2nccs2)CC1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate?
The InChIKey is NMOYCIGAWHGJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-29-23(27)20-14-18-4-2-3-5-19(18)15-21(20)30-12-8-17-6-10-26(11-7-17)24(28)31-16-22-25-9-13-32-22/h2-5,9,13-15,17H,6-8,10-12,16H2,1H3.
What are the key properties of 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate?
1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate has a molecular weight of 454.55 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67326036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).