[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone

C20H25N3O2 — CID 154862545

IUPAC[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone
SMILESCC(C)COc1cncc(N2CCC(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C20H25N3O2/c1-15(2)14-25-19-13-21-12-18(22-19)23-10-8-17(9-11-23)20(24)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3
InChIKeyAXNKXPVXKHRNPV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.61
Rot. Bonds6

About [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone

[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone (PubChem CID 154862545) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone
PubChem CID154862545
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone
SMILESCC(C)COc1cncc(N2CCC(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C20H25N3O2/c1-15(2)14-25-19-13-21-12-18(22-19)23-10-8-17(9-11-23)20(24)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3
InChIKeyAXNKXPVXKHRNPV-UHFFFAOYSA-N
XLogP3.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]acetamide
CID 167844405
(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol
CID 133395788
5-cyclopropyl-3-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 133474973
N-[[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 97234608
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol
CID 139009395
4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 122060214
3-[[4-[6-(2-methylpropoxy)pyrazin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 71857382
[1-(6-methoxypyrazin-2-yl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134522244
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048524
(1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 124729643

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone (CID 154862545) is [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone is CC(C)COc1cncc(N2CCC(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone?
The InChIKey is AXNKXPVXKHRNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)14-25-19-13-21-12-18(22-19)23-10-8-17(9-11-23)20(24)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3.
What are the key properties of [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone?
[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone has a molecular weight of 339.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 154862545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).