azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone

C22H29N5O — CID 109285483

IUPACazepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
SMILESO=C(c1cnc(N2CCN(Cc3ccccc3)CC2)cn1)N1CCCCCC1
InChIInChI=1S/C22H29N5O/c28-22(27-10-6-1-2-7-11-27)20-16-24-21(17-23-20)26-14-12-25(13-15-26)18-19-8-4-3-5-9-19/h3-5,8-9,16-17H,1-2,6-7,10-15,18H2
InChIKeyWETQCZNKBLHOFJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.82
Rot. Bonds4

About azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone

azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone (PubChem CID 109285483) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
PubChem CID109285483
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Nameazepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
SMILESO=C(c1cnc(N2CCN(Cc3ccccc3)CC2)cn1)N1CCCCCC1
InChIInChI=1S/C22H29N5O/c28-22(27-10-6-1-2-7-11-27)20-16-24-21(17-23-20)26-14-12-25(13-15-26)18-19-8-4-3-5-9-19/h3-5,8-9,16-17H,1-2,6-7,10-15,18H2
InChIKeyWETQCZNKBLHOFJ-UHFFFAOYSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
[5-(4-ethylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273513
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272774
4-[5-(azepane-1-carbonyl)pyrazin-2-yl]piperazine-1-carbaldehyde
CID 109278935
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493
morpholin-4-yl-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276422

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone (CID 109285483) is azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone is O=C(c1cnc(N2CCN(Cc3ccccc3)CC2)cn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone?
The InChIKey is WETQCZNKBLHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(27-10-6-1-2-7-11-27)20-16-24-21(17-23-20)26-14-12-25(13-15-26)18-19-8-4-3-5-9-19/h3-5,8-9,16-17H,1-2,6-7,10-15,18H2.
What are the key properties of azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone?
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone is sourced from PubChem (CID 109285483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).