1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one

C13H20N4O — CID 143717135

IUPAC1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-3-4-13(18)17-9-7-16(8-10-17)12-11-14-5-6-15-12/h5-6,11H,2-4,7-10H2,1H3
InChIKeyMZRMUDBIKRUZMD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds4

About 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one

1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 143717135) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID143717135
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-3-4-13(18)17-9-7-16(8-10-17)12-11-14-5-6-15-12/h5-6,11H,2-4,7-10H2,1H3
InChIKeyMZRMUDBIKRUZMD-UHFFFAOYSA-N
XLogP1.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
2-pentyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 86053413
1-(4-pyrazin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 32646883
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one
CID 18154900
N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 32646466
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 38497213
2-(aminomethyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227346
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 56796063

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one (CID 143717135) is 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one is CCCCC(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is MZRMUDBIKRUZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-3-4-13(18)17-9-7-16(8-10-17)12-11-14-5-6-15-12/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one?
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 143717135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).