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

C20H25N3O2S — CID 90617092

IUPAC[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-20(19-2-1-15-26-19)23-11-5-16(6-12-23)22-13-7-18(8-14-22)25-17-3-9-21-10-4-17/h1-4,9-10,15-16,18H,5-8,11-14H2
InChIKeyFDSNBSWZFGCUND-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.29
Rot. Bonds4

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

[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 90617092) 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-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID90617092
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-20(19-2-1-15-26-19)23-11-5-16(6-12-23)22-13-7-18(8-14-22)25-17-3-9-21-10-4-17/h1-4,9-10,15-16,18H,5-8,11-14H2
InChIKeyFDSNBSWZFGCUND-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

Analyze [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 90617092) is [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is FDSNBSWZFGCUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-20(19-2-1-15-26-19)23-11-5-16(6-12-23)22-13-7-18(8-14-22)25-17-3-9-21-10-4-17/h1-4,9-10,15-16,18H,5-8,11-14H2.
What are the key properties of [4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-thiophen-2-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-2-ylmethanone is sourced from PubChem (CID 90617092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).