1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one

C18H26N6O — CID 110113154

IUPAC1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC(Cc2nccnc2N)C1
InChIInChI=1S/C18H26N6O/c1-2-16-21-8-11-23(16)10-5-17(25)24-9-3-4-14(13-24)12-15-18(19)22-7-6-20-15/h6-8,11,14H,2-5,9-10,12-13H2,1H3,(H2,19,22)
InChIKeyVCFGRSBWJNDYDQ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.69
Rot. Bonds6

About 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one

1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one (PubChem CID 110113154) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
PubChem CID110113154
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC(Cc2nccnc2N)C1
InChIInChI=1S/C18H26N6O/c1-2-16-21-8-11-23(16)10-5-17(25)24-9-3-4-14(13-24)12-15-18(19)22-7-6-20-15/h6-8,11,14H,2-5,9-10,12-13H2,1H3,(H2,19,22)
InChIKeyVCFGRSBWJNDYDQ-UHFFFAOYSA-N
XLogP1.69
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one with MolForge

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Related Compounds

1-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 70775945
2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867056
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 124980355
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 155900645
3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70711493
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110113166
3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 42194864
3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124988678

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one (CID 110113154) is 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one is CCc1nccn1CCC(=O)N1CCCC(Cc2nccnc2N)C1.
What is the InChIKey of 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The InChIKey is VCFGRSBWJNDYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-2-16-21-8-11-23(16)10-5-17(25)24-9-3-4-14(13-24)12-15-18(19)22-7-6-20-15/h6-8,11,14H,2-5,9-10,12-13H2,1H3,(H2,19,22).
What are the key properties of 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one has a molecular weight of 342.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 110113154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).