3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one

C15H25N3O2 — CID 107407490

IUPAC3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCC(C)(O)CC2)c1=O
InChIInChI=1S/C15H25N3O2/c1-12(2)11-18-10-7-16-13(14(18)19)17-8-4-5-15(3,20)6-9-17/h7,10,12,20H,4-6,8-9,11H2,1-3H3
InChIKeyBPOMGQZZUNHWLI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.64
Rot. Bonds3

About 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one

3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 107407490) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID107407490
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCC(C)(O)CC2)c1=O
InChIInChI=1S/C15H25N3O2/c1-12(2)11-18-10-7-16-13(14(18)19)17-8-4-5-15(3,20)6-9-17/h7,10,12,20H,4-6,8-9,11H2,1-3H3
InChIKeyBPOMGQZZUNHWLI-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-chloroethyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63392127
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 82685587
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424216
methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate
CID 115538473
3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63852836
4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 63721569
N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide
CID 79670685
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541
3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424207
3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63135534

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one (CID 107407490) is 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N2CCCC(C)(O)CC2)c1=O.
What is the InChIKey of 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is BPOMGQZZUNHWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)11-18-10-7-16-13(14(18)19)17-8-4-5-15(3,20)6-9-17/h7,10,12,20H,4-6,8-9,11H2,1-3H3.
What are the key properties of 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 279.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 107407490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).