1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one

C18H32N4O3 — CID 59948077

IUPAC1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one
SMILESCC(C)N1CCC(N2CCCN(CC(=O)N3CCOCC3)C2=O)CC1
InChIInChI=1S/C18H32N4O3/c1-15(2)19-8-4-16(5-9-19)22-7-3-6-21(18(22)24)14-17(23)20-10-12-25-13-11-20/h15-16H,3-14H2,1-2H3
InChIKeyPNBGEPFMZUMISR-UHFFFAOYSA-N
MW352.48 g/mol
LogP0.85
Rot. Bonds4

About 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one

1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one (PubChem CID 59948077) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one
PubChem CID59948077
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one
SMILESCC(C)N1CCC(N2CCCN(CC(=O)N3CCOCC3)C2=O)CC1
InChIInChI=1S/C18H32N4O3/c1-15(2)19-8-4-16(5-9-19)22-7-3-6-21(18(22)24)14-17(23)20-10-12-25-13-11-20/h15-16H,3-14H2,1-2H3
InChIKeyPNBGEPFMZUMISR-UHFFFAOYSA-N
XLogP0.85
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one (CID 59948077) is 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one is CC(C)N1CCC(N2CCCN(CC(=O)N3CCOCC3)C2=O)CC1.
What is the InChIKey of 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one?
The InChIKey is PNBGEPFMZUMISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-15(2)19-8-4-16(5-9-19)22-7-3-6-21(18(22)24)14-17(23)20-10-12-25-13-11-20/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one?
1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one has a molecular weight of 352.48 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-oxoethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 59948077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).