1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one

C16H26N4O2 — CID 124515152

IUPAC1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
SMILESCCn1ccnc(NC2CCN(C[C@@H]3CCOC3)CC2)c1=O
InChIInChI=1S/C16H26N4O2/c1-2-20-9-6-17-15(16(20)21)18-14-3-7-19(8-4-14)11-13-5-10-22-12-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBDJYALFYNYWVLL-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.18
Rot. Bonds5

About 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one

1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one (PubChem CID 124515152) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
PubChem CID124515152
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
SMILESCCn1ccnc(NC2CCN(C[C@@H]3CCOC3)CC2)c1=O
InChIInChI=1S/C16H26N4O2/c1-2-20-9-6-17-15(16(20)21)18-14-3-7-19(8-4-14)11-13-5-10-22-12-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBDJYALFYNYWVLL-ZDUSSCGKSA-N
XLogP1.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one with MolForge

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Related Compounds

3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 133453509
3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 59293572
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133305271
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 62938803
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
CID 167780781
1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one
CID 62927230

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one (CID 124515152) is 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one is CCn1ccnc(NC2CCN(C[C@@H]3CCOC3)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one?
The InChIKey is BDJYALFYNYWVLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-20-9-6-17-15(16(20)21)18-14-3-7-19(8-4-14)11-13-5-10-22-12-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one?
1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one is sourced from PubChem (CID 124515152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).