(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C20H30N2O2 — CID 91916408

IUPAC(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(OC3CCN(C)CC3)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-15-4-5-16(2)19(14-15)20(23)22-12-8-18(9-13-22)24-17-6-10-21(3)11-7-17/h4-5,14,17-18H,6-13H2,1-3H3
InChIKeyNTSRVEUGXPVZBV-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.02
Rot. Bonds3

About (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916408) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916408
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(OC3CCN(C)CC3)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-15-4-5-16(2)19(14-15)20(23)22-12-8-18(9-13-22)24-17-6-10-21(3)11-7-17/h4-5,14,17-18H,6-13H2,1-3H3
InChIKeyNTSRVEUGXPVZBV-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759044

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916408) is (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CCC(OC3CCN(C)CC3)CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is NTSRVEUGXPVZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-4-5-16(2)19(14-15)20(23)22-12-8-18(9-13-22)24-17-6-10-21(3)11-7-17/h4-5,14,17-18H,6-13H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 330.47 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).