1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone

C16H18N2O2S — CID 90566020

IUPAC1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C16H18N2O2S/c19-16(11-15-4-2-10-21-15)18-8-5-13(6-9-18)20-14-3-1-7-17-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2
InChIKeyPLWGFISBFRGUHM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone

1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 90566020) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID90566020
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C16H18N2O2S/c19-16(11-15-4-2-10-21-15)18-8-5-13(6-9-18)20-14-3-1-7-17-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2
InChIKeyPLWGFISBFRGUHM-UHFFFAOYSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone (CID 90566020) is 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is PLWGFISBFRGUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(11-15-4-2-10-21-15)18-8-5-13(6-9-18)20-14-3-1-7-17-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2.
What are the key properties of 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 302.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 90566020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).