(4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C20H30N2O2 — CID 91916418

IUPAC(4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(OC3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-3-16-4-6-17(7-5-16)20(23)22-14-10-19(11-15-22)24-18-8-12-21(2)13-9-18/h4-7,18-19H,3,8-15H2,1-2H3
InChIKeyAFLISDSLOYZXBP-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.96
Rot. Bonds4

About (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916418) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916418
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(OC3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-3-16-4-6-17(7-5-16)20(23)22-14-10-19(11-15-22)24-18-8-12-21(2)13-9-18/h4-7,18-19H,3,8-15H2,1-2H3
InChIKeyAFLISDSLOYZXBP-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916418) is (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(OC3CCN(C)CC3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is AFLISDSLOYZXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-16-4-6-17(7-5-16)20(23)22-14-10-19(11-15-22)24-18-8-12-21(2)13-9-18/h4-7,18-19H,3,8-15H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 330.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).