(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone

C19H18ClN3O2S — CID 166335710

IUPAC(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
SMILESNc1c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)sc2cccnc12
InChIInChI=1S/C19H18ClN3O2S/c20-12-3-5-13(6-4-12)25-14-7-10-23(11-8-14)19(24)18-16(21)17-15(26-18)2-1-9-22-17/h1-6,9,14H,7-8,10-11,21H2
InChIKeyLLBOQSQIJJUXDZ-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.22
Rot. Bonds3

About (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone

(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone (PubChem CID 166335710) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
PubChem CID166335710
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
SMILESNc1c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)sc2cccnc12
InChIInChI=1S/C19H18ClN3O2S/c20-12-3-5-13(6-4-12)25-14-7-10-23(11-8-14)19(24)18-16(21)17-15(26-18)2-1-9-22-17/h1-6,9,14H,7-8,10-11,21H2
InChIKeyLLBOQSQIJJUXDZ-UHFFFAOYSA-N
XLogP4.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone 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

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629406
[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(difluoromethyl)-1,3-thiazol-5-yl]methanone
CID 166294062
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone
CID 166338912

Frequently Asked Questions

What is the IUPAC name of (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone (CID 166335710) is (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone is Nc1c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)sc2cccnc12.
What is the InChIKey of (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The InChIKey is LLBOQSQIJJUXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-12-3-5-13(6-4-12)25-14-7-10-23(11-8-14)19(24)18-16(21)17-15(26-18)2-1-9-22-17/h1-6,9,14H,7-8,10-11,21H2.
What are the key properties of (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone has a molecular weight of 387.89 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 166335710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).