2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

C22H23N3O2 — CID 1074775

IUPAC2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H23N3O2/c26-22(17-27-21-6-5-19-3-1-2-4-20(19)15-21)25-13-11-24(12-14-25)16-18-7-9-23-10-8-18/h1-10,15H,11-14,16-17H2
InChIKeyWWKZKFJUQUHBPO-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.96
Rot. Bonds5

About 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 1074775) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
PubChem CID1074775
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H23N3O2/c26-22(17-27-21-6-5-19-3-1-2-4-20(19)15-21)25-13-11-24(12-14-25)16-18-7-9-23-10-8-18/h1-10,15H,11-14,16-17H2
InChIKeyWWKZKFJUQUHBPO-UHFFFAOYSA-N
XLogP2.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone (CID 1074775) is 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone is O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is WWKZKFJUQUHBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(17-27-21-6-5-19-3-1-2-4-20(19)15-21)25-13-11-24(12-14-25)16-18-7-9-23-10-8-18/h1-10,15H,11-14,16-17H2.
What are the key properties of 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone?
2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1074775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).