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

C20H23ClN2O2 — CID 53151004

IUPAC2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C20H23ClN2O2/c21-19-6-2-1-4-17(19)14-20(24)23-11-7-16(8-12-23)9-13-25-18-5-3-10-22-15-18/h1-6,10,15-16H,7-9,11-14H2
InChIKeyKAZRHNBQMDZKGX-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.99
Rot. Bonds6

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

2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone (PubChem CID 53151004) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
PubChem CID53151004
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C20H23ClN2O2/c21-19-6-2-1-4-17(19)14-20(24)23-11-7-16(8-12-23)9-13-25-18-5-3-10-22-15-18/h1-6,10,15-16H,7-9,11-14H2
InChIKeyKAZRHNBQMDZKGX-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone (CID 53151004) is 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The InChIKey is KAZRHNBQMDZKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-19-6-2-1-4-17(19)14-20(24)23-11-7-16(8-12-23)9-13-25-18-5-3-10-22-15-18/h1-6,10,15-16H,7-9,11-14H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone has a molecular weight of 358.87 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53151004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).