(4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone

C21H25N3O4S — CID 86873725

IUPAC(4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C21H25N3O4S/c25-21(23-11-9-18(10-12-23)28-17-7-2-1-3-8-17)19-14-29-20(22-19)15-5-4-6-16(13-15)24(26)27/h4-6,13-14,17-18H,1-3,7-12H2
InChIKeyFQRQEQIWOXIPCM-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.67
Rot. Bonds5

About (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone

(4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 86873725) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID86873725
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name(4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C21H25N3O4S/c25-21(23-11-9-18(10-12-23)28-17-7-2-1-3-8-17)19-14-29-20(22-19)15-5-4-6-16(13-15)24(26)27/h4-6,13-14,17-18H,1-3,7-12H2
InChIKeyFQRQEQIWOXIPCM-UHFFFAOYSA-N
XLogP4.67
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 110022928
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119639393
(3-methylpiperazin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119580818
[2-(3-nitrophenyl)-1,3-thiazol-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94345269
[4-(4-nitrophenyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 9033193
4-(4-cyclohexyloxypiperidin-1-yl)-6-methyl-2-(3-nitrophenyl)pyrimidine
CID 133278366
(3S)-1-[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119174310
1-[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167916
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623241
methyl 1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 84592566
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone (CID 86873725) is (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(OC2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is FQRQEQIWOXIPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-21(23-11-9-18(10-12-23)28-17-7-2-1-3-8-17)19-14-29-20(22-19)15-5-4-6-16(13-15)24(26)27/h4-6,13-14,17-18H,1-3,7-12H2.
What are the key properties of (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone?
(4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 415.52 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyloxypiperidin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 86873725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).