3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one

C30H35N3O2 — CID 90617358

IUPAC3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C30H35N3O2/c34-30(23-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25)33-19-13-26(14-20-33)32-21-15-28(16-22-32)35-27-11-17-31-18-12-27/h1-12,17-18,26,28-29H,13-16,19-23H2
InChIKeyUJPFXTCVFVCDPR-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.14
Rot. Bonds7

About 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one

3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 90617358) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
PubChem CID90617358
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C30H35N3O2/c34-30(23-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25)33-19-13-26(14-20-33)32-21-15-28(16-22-32)35-27-11-17-31-18-12-27/h1-12,17-18,26,28-29H,13-16,19-23H2
InChIKeyUJPFXTCVFVCDPR-UHFFFAOYSA-N
XLogP5.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-phenylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617160
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
3,3-diphenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186525
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617346
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118
3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617225
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
3-(2,6-dichlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617235
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one (CID 90617358) is 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is UJPFXTCVFVCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-30(23-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25)33-19-13-26(14-20-33)32-21-15-28(16-22-32)35-27-11-17-31-18-12-27/h1-12,17-18,26,28-29H,13-16,19-23H2.
What are the key properties of 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 469.63 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90617358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).