1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate

C22H25N3O3S — CID 67326022

IUPAC1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate
SMILESCc1ccc2cccc(OCCC3CCN(C(=O)OCc4cncs4)CC3)c2n1
InChIInChI=1S/C22H25N3O3S/c1-16-5-6-18-3-2-4-20(21(18)24-16)27-12-9-17-7-10-25(11-8-17)22(26)28-14-19-13-23-15-29-19/h2-6,13,15,17H,7-12,14H2,1H3
InChIKeyIGQHFNSXBMZLEC-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.82
Rot. Bonds6

About 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate

1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate (PubChem CID 67326022) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate
PubChem CID67326022
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate
SMILESCc1ccc2cccc(OCCC3CCN(C(=O)OCc4cncs4)CC3)c2n1
InChIInChI=1S/C22H25N3O3S/c1-16-5-6-18-3-2-4-20(21(18)24-16)27-12-9-17-7-10-25(11-8-17)22(26)28-14-19-13-23-15-29-19/h2-6,13,15,17H,7-12,14H2,1H3
InChIKeyIGQHFNSXBMZLEC-UHFFFAOYSA-N
XLogP4.82
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate
CID 67326038
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-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate
CID 67326358
1,3-thiazol-5-ylmethyl 4-[2-[3-(4-cyanophenyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 71009661
1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate
CID 67326235
2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid
CID 63919233
1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate
CID 67326036
1,3-thiazol-4-ylmethyl 4-[2-(2-benzylphenoxy)ethyl]piperidine-1-carboxylate
CID 67325989
N-cyclopropyl-2-(2-methylquinolin-8-yl)oxyacetamide
CID 40512032
1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327464
butyl 4-[2-[(4-amino-2-oxo-1H-quinazolin-5-yl)oxy]ethyl]piperidine-1-carboxylate
CID 151565498

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate (CID 67326022) is 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate is Cc1ccc2cccc(OCCC3CCN(C(=O)OCc4cncs4)CC3)c2n1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate?
The InChIKey is IGQHFNSXBMZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-5-6-18-3-2-4-20(21(18)24-16)27-12-9-17-7-10-25(11-8-17)22(26)28-14-19-13-23-15-29-19/h2-6,13,15,17H,7-12,14H2,1H3.
What are the key properties of 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate?
1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate has a molecular weight of 411.53 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67326022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).