[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone

C20H25N3O2S — CID 90617093

IUPAC[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-20(16-7-14-26-15-16)23-10-3-17(4-11-23)22-12-5-19(6-13-22)25-18-1-8-21-9-2-18/h1-2,7-9,14-15,17,19H,3-6,10-13H2
InChIKeyMYONUCYHYZDYED-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.29
Rot. Bonds4

About [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone

[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 90617093) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID90617093
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-20(16-7-14-26-15-16)23-10-3-17(4-11-23)22-12-5-19(6-13-22)25-18-1-8-21-9-2-18/h1-2,7-9,14-15,17,19H,3-6,10-13H2
InChIKeyMYONUCYHYZDYED-UHFFFAOYSA-N
XLogP3.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 90617093) is [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is MYONUCYHYZDYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-20(16-7-14-26-15-16)23-10-3-17(4-11-23)22-12-5-19(6-13-22)25-18-1-8-21-9-2-18/h1-2,7-9,14-15,17,19H,3-6,10-13H2.
What are the key properties of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 371.51 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 90617093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).