N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide

C17H22N6O2 — CID 110117397

IUPACN-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCC(=O)N1CCC(Cc2cnc(CNC(=O)c3cnc[nH]3)cn2)CC1
InChIInChI=1S/C17H22N6O2/c1-12(24)23-4-2-13(3-5-23)6-14-7-20-15(8-19-14)9-21-17(25)16-10-18-11-22-16/h7-8,10-11,13H,2-6,9H2,1H3,(H,18,22)(H,21,25)
InChIKeyHZHHVIPSLWFZEK-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.93
Rot. Bonds5

About N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide

N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 110117397) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID110117397
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCC(=O)N1CCC(Cc2cnc(CNC(=O)c3cnc[nH]3)cn2)CC1
InChIInChI=1S/C17H22N6O2/c1-12(24)23-4-2-13(3-5-23)6-14-7-20-15(8-19-14)9-21-17(25)16-10-18-11-22-16/h7-8,10-11,13H,2-6,9H2,1H3,(H,18,22)(H,21,25)
InChIKeyHZHHVIPSLWFZEK-UHFFFAOYSA-N
XLogP0.93
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide (CID 110117397) is N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide is CC(=O)N1CCC(Cc2cnc(CNC(=O)c3cnc[nH]3)cn2)CC1.
What is the InChIKey of N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is HZHHVIPSLWFZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(24)23-4-2-13(3-5-23)6-14-7-20-15(8-19-14)9-21-17(25)16-10-18-11-22-16/h7-8,10-11,13H,2-6,9H2,1H3,(H,18,22)(H,21,25).
What are the key properties of N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110117397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).