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

C18H21FN2O3S — CID 53327464

IUPAC1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1nccs1)N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O3S/c19-15-1-3-16(4-2-15)23-11-7-14-5-9-21(10-6-14)18(22)24-13-17-20-8-12-25-17/h1-4,8,12,14H,5-7,9-11,13H2
InChIKeyYAENPQMNEFNZRX-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.10
Rot. Bonds6

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

1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 53327464) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
PubChem CID53327464
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1nccs1)N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O3S/c19-15-1-3-16(4-2-15)23-11-7-14-5-9-21(10-6-14)18(22)24-13-17-20-8-12-25-17/h1-4,8,12,14H,5-7,9-11,13H2
InChIKeyYAENPQMNEFNZRX-UHFFFAOYSA-N
XLogP4.10
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate
CID 67326235
1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate
CID 67326036
1,3-thiazol-2-ylmethyl 4-[2-(4-carbamoylphenoxy)ethyl]piperidine-1-carboxylate;1,3-thiazol-2-ylmethyl 4-[2-(3-cyanophenoxy)ethyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 158480295
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327510
[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91919964
1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
CID 70056141
1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate
CID 67326358
1,3-thiazol-4-ylmethyl 4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]piperidine-1-carboxylate
CID 53329304
1,3-thiazol-5-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
CID 67325507
1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
CID 67325747
N-[(4-fluorophenyl)methyl]-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151043

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate (CID 53327464) is 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate is O=C(OCc1nccs1)N1CCC(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is YAENPQMNEFNZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c19-15-1-3-16(4-2-15)23-11-7-14-5-9-21(10-6-14)18(22)24-13-17-20-8-12-25-17/h1-4,8,12,14H,5-7,9-11,13H2.
What are the key properties of 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 53327464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).