1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate

C23H30N2O3S — CID 67326038

IUPAC1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cncs1)N1CCC(CCOc2ccccc2C2CCCC2)CC1
InChIInChI=1S/C23H30N2O3S/c26-23(28-16-20-15-24-17-29-20)25-12-9-18(10-13-25)11-14-27-22-8-4-3-7-21(22)19-5-1-2-6-19/h3-4,7-8,15,17-19H,1-2,5-6,9-14,16H2
InChIKeyLYVFCQAICQCEDJ-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.62
Rot. Bonds7

About 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate

1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 67326038) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate
PubChem CID67326038
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cncs1)N1CCC(CCOc2ccccc2C2CCCC2)CC1
InChIInChI=1S/C23H30N2O3S/c26-23(28-16-20-15-24-17-29-20)25-12-9-18(10-13-25)11-14-27-22-8-4-3-7-21(22)19-5-1-2-6-19/h3-4,7-8,15,17-19H,1-2,5-6,9-14,16H2
InChIKeyLYVFCQAICQCEDJ-UHFFFAOYSA-N
XLogP5.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate
CID 67326022
1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate
CID 67326358
1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate
CID 67380637
1,3-thiazol-5-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
CID 67325507
1,3-thiazol-5-ylmethyl 4-[2-[3-(4-cyanophenyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 71009661
1,3-thiazol-4-ylmethyl 4-[2-(2-benzylphenoxy)ethyl]piperidine-1-carboxylate
CID 67325989
5-[2-(2-cyclopentylphenoxy)propyl]-1,3-thiazole
CID 173063582
1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327464
cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53037979
1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate
CID 67326036
1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate
CID 67326235
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate (CID 67326038) is 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate is O=C(OCc1cncs1)N1CCC(CCOc2ccccc2C2CCCC2)CC1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is LYVFCQAICQCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c26-23(28-16-20-15-24-17-29-20)25-12-9-18(10-13-25)11-14-27-22-8-4-3-7-21(22)19-5-1-2-6-19/h3-4,7-8,15,17-19H,1-2,5-6,9-14,16H2.
What are the key properties of 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate?
1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 414.57 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67326038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).