1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C20H30N2O3 — CID 90616528

IUPAC1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCOC1CCN(C2CCN(C(=O)COc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C20H30N2O3/c1-16-3-5-19(6-4-16)25-15-20(23)22-11-7-17(8-12-22)21-13-9-18(24-2)10-14-21/h3-6,17-18H,7-15H2,1-2H3
InChIKeyCUCHYRPHZAQTBF-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.48
Rot. Bonds5

About 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 90616528) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID90616528
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCOC1CCN(C2CCN(C(=O)COc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C20H30N2O3/c1-16-3-5-19(6-4-16)25-15-20(23)22-11-7-17(8-12-22)21-13-9-18(24-2)10-14-21/h3-6,17-18H,7-15H2,1-2H3
InChIKeyCUCHYRPHZAQTBF-UHFFFAOYSA-N
XLogP2.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616344
1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone;oxalic acid
CID 2910783
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176
2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110866981
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 90616528) is 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is COC1CCN(C2CCN(C(=O)COc3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is CUCHYRPHZAQTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16-3-5-19(6-4-16)25-15-20(23)22-11-7-17(8-12-22)21-13-9-18(24-2)10-14-21/h3-6,17-18H,7-15H2,1-2H3.
What are the key properties of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 90616528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).