3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide

C18H28N4O3 — CID 129344612

IUPAC3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide
SMILESC[C@@H]1CC[C@H](CCC(=O)NC2CCN(c3nccn(C)c3=O)CC2)O1
InChIInChI=1S/C18H28N4O3/c1-13-3-4-15(25-13)5-6-16(23)20-14-7-10-22(11-8-14)17-18(24)21(2)12-9-19-17/h9,12-15H,3-8,10-11H2,1-2H3,(H,20,23)/t13-,15-/m1/s1
InChIKeyZXRSXIWFSLHLBN-UKRRQHHQSA-N
MW348.45 g/mol
LogP1.21
Rot. Bonds5

About 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide

3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide (PubChem CID 129344612) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide
PubChem CID129344612
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide
SMILESC[C@@H]1CC[C@H](CCC(=O)NC2CCN(c3nccn(C)c3=O)CC2)O1
InChIInChI=1S/C18H28N4O3/c1-13-3-4-15(25-13)5-6-16(23)20-14-7-10-22(11-8-14)17-18(24)21(2)12-9-19-17/h9,12-15H,3-8,10-11H2,1-2H3,(H,20,23)/t13-,15-/m1/s1
InChIKeyZXRSXIWFSLHLBN-UKRRQHHQSA-N
XLogP1.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea
CID 129333627
1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 128975594
3-(5-methyloxolan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388756
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
CID 128985624
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343770
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one
CID 128976202
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide (CID 129344612) is 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide is C[C@@H]1CC[C@H](CCC(=O)NC2CCN(c3nccn(C)c3=O)CC2)O1.
What is the InChIKey of 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide?
The InChIKey is ZXRSXIWFSLHLBN-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-3-4-15(25-13)5-6-16(23)20-14-7-10-22(11-8-14)17-18(24)21(2)12-9-19-17/h9,12-15H,3-8,10-11H2,1-2H3,(H,20,23)/t13-,15-/m1/s1.
What are the key properties of 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide?
3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 129344612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).