(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C21H24N4O4S — CID 95579738

IUPAC(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)CC2=O)cc1
InChIInChI=1S/C21H24N4O4S/c1-29-17-6-4-16(5-7-17)25-13-15(11-18(25)26)20(28)24-9-2-3-14(12-24)19(27)23-21-22-8-10-30-21/h4-8,10,14-15H,2-3,9,11-13H2,1H3,(H,22,23,27)/t14-,15-/m1/s1
InChIKeyUDSFFEIADKPJFK-HUUCEWRRSA-N
MW428.51 g/mol
LogP2.38
Rot. Bonds5

About (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 95579738) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID95579738
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)CC2=O)cc1
InChIInChI=1S/C21H24N4O4S/c1-29-17-6-4-16(5-7-17)25-13-15(11-18(25)26)20(28)24-9-2-3-14(12-24)19(27)23-21-22-8-10-30-21/h4-8,10,14-15H,2-3,9,11-13H2,1H3,(H,22,23,27)/t14-,15-/m1/s1
InChIKeyUDSFFEIADKPJFK-HUUCEWRRSA-N
XLogP2.38
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 42569786
1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 42654766
ethyl 1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 6459232
1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810736
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 121068865
4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 122259392
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 95579738) is (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)CC2=O)cc1.
What is the InChIKey of (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is UDSFFEIADKPJFK-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-29-17-6-4-16(5-7-17)25-13-15(11-18(25)26)20(28)24-9-2-3-14(12-24)19(27)23-21-22-8-10-30-21/h4-8,10,14-15H,2-3,9,11-13H2,1H3,(H,22,23,27)/t14-,15-/m1/s1.
What are the key properties of (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95579738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).