2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C22H29N5O — CID 18146902

IUPAC2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H29N5O/c1-17(19-7-6-18-4-2-3-5-20(18)14-19)25-22(28)16-26-10-12-27(13-11-26)21-15-23-8-9-24-21/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,25,28)
InChIKeyYXXNMLFDVDZCPG-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 18146902) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID18146902
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H29N5O/c1-17(19-7-6-18-4-2-3-5-20(18)14-19)25-22(28)16-26-10-12-27(13-11-26)21-15-23-8-9-24-21/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,25,28)
InChIKeyYXXNMLFDVDZCPG-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167957
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46561424
2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8558028
ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate
CID 26553594
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 35015530
N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 42891215
2-(4-benzoylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 84913276
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46560063
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 27635375
2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 97255752
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 42942982
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55484019

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 18146902) is 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is YXXNMLFDVDZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17(19-7-6-18-4-2-3-5-20(18)14-19)25-22(28)16-26-10-12-27(13-11-26)21-15-23-8-9-24-21/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,25,28).
What are the key properties of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 18146902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).