2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone

C21H26N2O2 — CID 53150994

IUPAC2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC(CCOc3cccnc3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-4-6-19(7-5-17)15-21(24)23-12-8-18(9-13-23)10-14-25-20-3-2-11-22-16-20/h2-7,11,16,18H,8-10,12-15H2,1H3
InChIKeyJFGVNIJXHQOLQR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone

2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone (PubChem CID 53150994) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
PubChem CID53150994
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC(CCOc3cccnc3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-4-6-19(7-5-17)15-21(24)23-12-8-18(9-13-23)10-14-25-20-3-2-11-22-16-20/h2-7,11,16,18H,8-10,12-15H2,1H3
InChIKeyJFGVNIJXHQOLQR-UHFFFAOYSA-N
XLogP3.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone (CID 53150994) is 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCC(CCOc3cccnc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The InChIKey is JFGVNIJXHQOLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-4-6-19(7-5-17)15-21(24)23-12-8-18(9-13-23)10-14-25-20-3-2-11-22-16-20/h2-7,11,16,18H,8-10,12-15H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53150994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).