2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

C22H21N3O3 — CID 1147953

IUPAC2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H21N3O3/c26-21(16-28-20-8-7-17-4-1-2-5-18(17)14-20)24-10-12-25(13-11-24)22(27)19-6-3-9-23-15-19/h1-9,14-15H,10-13,16H2
InChIKeyYUAIFVXBZCIYFO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.60
Rot. Bonds4

About 2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 1147953) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID1147953
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H21N3O3/c26-21(16-28-20-8-7-17-4-1-2-5-18(17)14-20)24-10-12-25(13-11-24)22(27)19-6-3-9-23-15-19/h1-9,14-15H,10-13,16H2
InChIKeyYUAIFVXBZCIYFO-UHFFFAOYSA-N
XLogP2.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.60
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-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone (CID 1147953) is 2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone is O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is YUAIFVXBZCIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(16-28-20-8-7-17-4-1-2-5-18(17)14-20)24-10-12-25(13-11-24)22(27)19-6-3-9-23-15-19/h1-9,14-15H,10-13,16H2.
What are the key properties of 2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
2-naphthalen-2-yloxy-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 375.43 g/mol, XLogP of 2.60, 4 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-(pyridine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1147953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).