3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one

C16H16ClN3O2S — CID 171137353

IUPAC3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1Cl)N1CCC(Oc2cnsn2)CC1
InChIInChI=1S/C16H16ClN3O2S/c17-14-4-2-1-3-12(14)5-6-16(21)20-9-7-13(8-10-20)22-15-11-18-23-19-15/h1-6,11,13H,7-10H2
InChIKeyVGZSABBJJFWPPD-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.27
Rot. Bonds4

About 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one

3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one (PubChem CID 171137353) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one
PubChem CID171137353
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1Cl)N1CCC(Oc2cnsn2)CC1
InChIInChI=1S/C16H16ClN3O2S/c17-14-4-2-1-3-12(14)5-6-16(21)20-9-7-13(8-10-20)22-15-11-18-23-19-15/h1-6,11,13H,7-10H2
InChIKeyVGZSABBJJFWPPD-UHFFFAOYSA-N
XLogP3.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-chlorophenyl)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]prop-2-en-1-one
CID 90566244
4-[1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156325
2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone
CID 126853870
(E)-3-(2-chlorophenyl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 117054772
(E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 9218753
3-(2-chlorophenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 171136723
(E)-3-(2-chlorophenyl)-1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 117054755
1-[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 75118878
(E)-3-(2-chlorophenyl)-1-[(3S)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 880034
3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 2891510
(E)-1-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 154845277
(E)-3-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 966115

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one (CID 171137353) is 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one is O=C(C=Cc1ccccc1Cl)N1CCC(Oc2cnsn2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is VGZSABBJJFWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-14-4-2-1-3-12(14)5-6-16(21)20-9-7-13(8-10-20)22-15-11-18-23-19-15/h1-6,11,13H,7-10H2.
What are the key properties of 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one?
3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 349.84 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 171137353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).