(4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone

C18H18N2O2S — CID 121187064

IUPAC(4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
SMILESO=C(c1ccc(Oc2nccs2)cc1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C18H18N2O2S/c21-17(20-10-7-14(8-11-20)13-1-2-13)15-3-5-16(6-4-15)22-18-19-9-12-23-18/h3-6,9,12H,1-2,7-8,10-11H2
InChIKeyCDLUQXVNVNIAPC-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.26
Rot. Bonds3

About (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone

(4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone (PubChem CID 121187064) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
PubChem CID121187064
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
SMILESO=C(c1ccc(Oc2nccs2)cc1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C18H18N2O2S/c21-17(20-10-7-14(8-11-20)13-1-2-13)15-3-5-16(6-4-15)22-18-19-9-12-23-18/h3-6,9,12H,1-2,7-8,10-11H2
InChIKeyCDLUQXVNVNIAPC-UHFFFAOYSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 121152221
[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150998
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617849
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704
(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 121186106
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573531
4-(1,3-thiazol-2-yloxy)benzenecarboximidamide
CID 57451678
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 90617599
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone (CID 121187064) is (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone is O=C(c1ccc(Oc2nccs2)cc1)N1CCC(=C2CC2)CC1.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?
The InChIKey is CDLUQXVNVNIAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-17(20-10-7-14(8-11-20)13-1-2-13)15-3-5-16(6-4-15)22-18-19-9-12-23-18/h3-6,9,12H,1-2,7-8,10-11H2.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?
(4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone has a molecular weight of 326.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone is sourced from PubChem (CID 121187064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).