[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

C21H25N3O2S — CID 86990968

IUPAC[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H25N3O2S/c25-20(23-11-5-2-6-12-23)17-9-13-24(14-10-17)21(26)18-15-22-19(27-18)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2
InChIKeyAXGCRNKTYZODTB-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.67
Rot. Bonds3

About [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 86990968) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID86990968
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H25N3O2S/c25-20(23-11-5-2-6-12-23)17-9-13-24(14-10-17)21(26)18-15-22-19(27-18)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2
InChIKeyAXGCRNKTYZODTB-UHFFFAOYSA-N
XLogP3.67
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 56819559
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 95589953
N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864
(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56813121
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 84584448
(3S)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703630
1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122159680
1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354254
(3S,4S)-4-methyl-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952162

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 86990968) is [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cnc(-c2ccccc2)s1)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is AXGCRNKTYZODTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-20(23-11-5-2-6-12-23)17-9-13-24(14-10-17)21(26)18-15-22-19(27-18)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2.
What are the key properties of [1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 383.52 g/mol, XLogP of 3.67, 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-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 86990968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).