2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C22H25N3O2 — CID 110368714

IUPAC2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CN1CCN(C(=O)c2cccnc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25N3O2/c26-21(19-8-7-17-4-1-2-5-18(17)14-19)16-24-10-12-25(13-11-24)22(27)20-6-3-9-23-15-20/h3,6-9,14-15H,1-2,4-5,10-13,16H2
InChIKeyYTACDZBAHLAGMJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 110368714) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID110368714
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CN1CCN(C(=O)c2cccnc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25N3O2/c26-21(19-8-7-17-4-1-2-5-18(17)14-19)16-24-10-12-25(13-11-24)22(27)20-6-3-9-23-15-20/h3,6-9,14-15H,1-2,4-5,10-13,16H2
InChIKeyYTACDZBAHLAGMJ-UHFFFAOYSA-N
XLogP2.60
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone with MolForge

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Related Compounds

2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110366908
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368725
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 110368714) is 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(CN1CCN(C(=O)c2cccnc2)CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is YTACDZBAHLAGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(19-8-7-17-4-1-2-5-18(17)14-19)16-24-10-12-25(13-11-24)22(27)20-6-3-9-23-15-20/h3,6-9,14-15H,1-2,4-5,10-13,16H2.
What are the key properties of 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 363.46 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-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 110368714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).