[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H23N3O2S — CID 51286859

IUPAC[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H23N3O2S/c24-19(22-10-4-5-11-22)16-8-12-23(13-9-16)20(25)17-14-26-18(21-17)15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2
InChIKeyYRICBLOTPVVEOM-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.28
Rot. Bonds3

About [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51286859) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID51286859
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H23N3O2S/c24-19(22-10-4-5-11-22)16-8-12-23(13-9-16)20(25)17-14-26-18(21-17)15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2
InChIKeyYRICBLOTPVVEOM-UHFFFAOYSA-N
XLogP3.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 17392352
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
piperidin-1-yl-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 55438799
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
(4-methylpiperidin-1-yl)-[1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 55950587
2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24680878
[7-(2-methylphenyl)-1,4-thiazepan-4-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 90631069

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 51286859) is [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1csc(-c2ccccc2)n1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YRICBLOTPVVEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(22-10-4-5-11-22)16-8-12-23(13-9-16)20(25)17-14-26-18(21-17)15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2.
What are the key properties of [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 369.49 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51286859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).