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

C31H37N3O3 — CID 90617225

IUPAC3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(OCc2ccccc2)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C31H37N3O3/c35-31(11-8-25-6-9-28(10-7-25)36-24-26-4-2-1-3-5-26)34-20-14-27(15-21-34)33-22-16-30(17-23-33)37-29-12-18-32-19-13-29/h1-7,9-10,12-13,18-19,27,30H,8,11,14-17,20-24H2
InChIKeyXADRFOHRBCEGAH-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.13
Rot. Bonds9

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

3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 90617225) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
PubChem CID90617225
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC Name3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(OCc2ccccc2)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C31H37N3O3/c35-31(11-8-25-6-9-28(10-7-25)36-24-26-4-2-1-3-5-26)34-20-14-27(15-21-34)33-22-16-30(17-23-33)37-29-12-18-32-19-13-29/h1-7,9-10,12-13,18-19,27,30H,8,11,14-17,20-24H2
InChIKeyXADRFOHRBCEGAH-UHFFFAOYSA-N
XLogP5.13
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

3-phenylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617160
3-(2,6-dichlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617235
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617254
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186336
3-(4-phenylmethoxyphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)propan-1-one
CID 121157251
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
3-[1-[3-(4-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159818
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one (CID 90617225) is 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one is O=C(CCc1ccc(OCc2ccccc2)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XADRFOHRBCEGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c35-31(11-8-25-6-9-28(10-7-25)36-24-26-4-2-1-3-5-26)34-20-14-27(15-21-34)33-22-16-30(17-23-33)37-29-12-18-32-19-13-29/h1-7,9-10,12-13,18-19,27,30H,8,11,14-17,20-24H2.
What are the key properties of 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 499.66 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90617225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).