3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one

C19H32N4O2 — CID 124515157

IUPAC3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1=O
InChIInChI=1S/C19H32N4O2/c1-4-22-12-8-20-18(19(22)24)23-10-6-17(7-11-23)5-9-21-13-15(2)25-16(3)14-21/h8,12,15-17H,4-7,9-11,13-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyDKXJUXYKSFHAGP-HZPDHXFCSA-N
MW348.49 g/mol
LogP1.98
Rot. Bonds5

About 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one

3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one (PubChem CID 124515157) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one
PubChem CID124515157
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1=O
InChIInChI=1S/C19H32N4O2/c1-4-22-12-8-20-18(19(22)24)23-10-6-17(7-11-23)5-9-21-13-15(2)25-16(3)14-21/h8,12,15-17H,4-7,9-11,13-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyDKXJUXYKSFHAGP-HZPDHXFCSA-N
XLogP1.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one with MolForge

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
CID 133446960
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-[3-(bromomethyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 80680208
6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide
CID 133338594
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
4-(4-ethyl-3-oxopyrazin-2-yl)-N-methylpiperazine-1-sulfonamide
CID 154736074
4-[2-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338682
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one (CID 124515157) is 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one is CCn1ccnc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1=O.
What is the InChIKey of 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one?
The InChIKey is DKXJUXYKSFHAGP-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-22-12-8-20-18(19(22)24)23-10-6-17(7-11-23)5-9-21-13-15(2)25-16(3)14-21/h8,12,15-17H,4-7,9-11,13-14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one?
3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one has a molecular weight of 348.49 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one is sourced from PubChem (CID 124515157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).