1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C21H27N3O2S — CID 90617101

IUPAC1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C21H27N3O2S/c25-21(16-20-2-1-15-27-20)24-11-5-17(6-12-24)23-13-7-19(8-14-23)26-18-3-9-22-10-4-18/h1-4,9-10,15,17,19H,5-8,11-14,16H2
InChIKeyFCQIKJHPSVKHIW-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.22
Rot. Bonds5

About 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 90617101) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID90617101
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C21H27N3O2S/c25-21(16-20-2-1-15-27-20)24-11-5-17(6-12-24)23-13-7-19(8-14-23)26-18-3-9-22-10-4-18/h1-4,9-10,15,17,19H,5-8,11-14,16H2
InChIKeyFCQIKJHPSVKHIW-UHFFFAOYSA-N
XLogP3.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 90617101) is 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is FCQIKJHPSVKHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c25-21(16-20-2-1-15-27-20)24-11-5-17(6-12-24)23-13-7-19(8-14-23)26-18-3-9-22-10-4-18/h1-4,9-10,15,17,19H,5-8,11-14,16H2.
What are the key properties of 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 385.53 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 90617101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).