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

C22H27N3O4S — CID 67326358

IUPAC1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cncs1)N1CCC(CCOc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C22H27N3O4S/c26-21-2-1-10-25(21)18-3-5-19(6-4-18)28-13-9-17-7-11-24(12-8-17)22(27)29-15-20-14-23-16-30-20/h3-6,14,16-17H,1-2,7-13,15H2
InChIKeyJAAQZCRLXOYSGR-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.09
Rot. Bonds7

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

1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate (PubChem CID 67326358) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate
PubChem CID67326358
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cncs1)N1CCC(CCOc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C22H27N3O4S/c26-21-2-1-10-25(21)18-3-5-19(6-4-18)28-13-9-17-7-11-24(12-8-17)22(27)29-15-20-14-23-16-30-20/h3-6,14,16-17H,1-2,7-13,15H2
InChIKeyJAAQZCRLXOYSGR-UHFFFAOYSA-N
XLogP4.09
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-thiazol-5-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
CID 67325507
1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate
CID 67380637
1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate
CID 67326038
1,3-thiazol-5-ylmethyl 4-[2-[3-(4-cyanophenyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 71009661
1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate
CID 67326022
1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327464
1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
CID 62760532
1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327510
4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119646587
1,3-thiazol-4-ylmethyl 4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]piperidine-1-carboxylate
CID 53329304
1,3-thiazol-4-ylmethyl 4-[2-(4-pyrrol-1-ylphenoxy)ethyl]piperidine-1-carboxylate;1,3-thiazol-4-ylmethyl 4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]piperidine-1-carboxylate
CID 159601873

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate (CID 67326358) is 1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate is O=C(OCc1cncs1)N1CCC(CCOc2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate?
The InChIKey is JAAQZCRLXOYSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c26-21-2-1-10-25(21)18-3-5-19(6-4-18)28-13-9-17-7-11-24(12-8-17)22(27)29-15-20-14-23-16-30-20/h3-6,14,16-17H,1-2,7-13,15H2.
What are the key properties of 1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate?
1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate has a molecular weight of 429.54 g/mol, XLogP of 4.09, 7 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-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67326358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).