N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide

C20H24N4O2 — CID 110095519

IUPACN-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
SMILESCC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccccc3)cn2)CC1
InChIInChI=1S/C20H24N4O2/c1-15(25)24-9-7-16(8-10-24)11-18-12-22-19(13-21-18)14-23-20(26)17-5-3-2-4-6-17/h2-6,12-13,16H,7-11,14H2,1H3,(H,23,26)
InChIKeyQXMAVFALEGWBOL-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.21
Rot. Bonds5

About N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide

N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide (PubChem CID 110095519) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
PubChem CID110095519
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
SMILESCC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccccc3)cn2)CC1
InChIInChI=1S/C20H24N4O2/c1-15(25)24-9-7-16(8-10-24)11-18-12-22-19(13-21-18)14-23-20(26)17-5-3-2-4-6-17/h2-6,12-13,16H,7-11,14H2,1H3,(H,23,26)
InChIKeyQXMAVFALEGWBOL-UHFFFAOYSA-N
XLogP2.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110116877
N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110095720
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
N-[[5-[[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110119076
N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110116932
4-[5-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 124983560
2-methoxy-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 110117389
N-[[5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110095583
1-[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662559
4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
CID 110198056
N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110116947
3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 110117413

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide (CID 110095519) is N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide is CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccccc3)cn2)CC1.
What is the InChIKey of N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide?
The InChIKey is QXMAVFALEGWBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(25)24-9-7-16(8-10-24)11-18-12-22-19(13-21-18)14-23-20(26)17-5-3-2-4-6-17/h2-6,12-13,16H,7-11,14H2,1H3,(H,23,26).
What are the key properties of N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide?
N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide is sourced from PubChem (CID 110095519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).