2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone

C24H31N3O3 — CID 90617132

IUPAC2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-19-3-2-4-23(17-19)29-18-24(28)27-13-7-20(8-14-27)26-15-9-22(10-16-26)30-21-5-11-25-12-6-21/h2-6,11-12,17,20,22H,7-10,13-16,18H2,1H3
InChIKeyDAJYCUYHEMVKSV-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.30
Rot. Bonds6

About 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone

2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 90617132) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID90617132
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-19-3-2-4-23(17-19)29-18-24(28)27-13-7-20(8-14-27)26-15-9-22(10-16-26)30-21-5-11-25-12-6-21/h2-6,11-12,17,20,22H,7-10,13-16,18H2,1H3
InChIKeyDAJYCUYHEMVKSV-UHFFFAOYSA-N
XLogP3.30
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-methylphenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617627
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;oxalic acid
CID 17385023
3-(2,6-dichlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617235
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118
2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617346

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 90617132) is 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone is Cc1cccc(OCC(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is DAJYCUYHEMVKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19-3-2-4-23(17-19)29-18-24(28)27-13-7-20(8-14-27)26-15-9-22(10-16-26)30-21-5-11-25-12-6-21/h2-6,11-12,17,20,22H,7-10,13-16,18H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 409.53 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90617132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).