4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one

C21H32FN5O2 — CID 154564556

IUPAC4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one
SMILESCCc1ncnc(NCC2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1F
InChIInChI=1S/C21H32FN5O2/c1-2-18-20(22)21(25-14-24-18)23-9-17-12-27(19(28)13-29-17)11-16-5-7-26(8-6-16)10-15-3-4-15/h14-17H,2-13H2,1H3,(H,23,24,25)
InChIKeyAODWFBKAGXTUFW-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.94
Rot. Bonds8

About 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one

4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one (PubChem CID 154564556) has the molecular formula C21H32FN5O2 and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one
PubChem CID154564556
Molecular FormulaC21H32FN5O2
Molecular Weight405.52 g/mol
Exact Mass405.25
IUPAC Name4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one
SMILESCCc1ncnc(NCC2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1F
InChIInChI=1S/C21H32FN5O2/c1-2-18-20(22)21(25-14-24-18)23-9-17-12-27(19(28)13-29-17)11-16-5-7-26(8-6-16)10-15-3-4-15/h14-17H,2-13H2,1H3,(H,23,24,25)
InChIKeyAODWFBKAGXTUFW-UHFFFAOYSA-N
XLogP1.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one?
The IUPAC name of 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one (CID 154564556) is 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one?
The canonical SMILES for 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one is CCc1ncnc(NCC2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1F.
What is the InChIKey of 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one?
The InChIKey is AODWFBKAGXTUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN5O2/c1-2-18-20(22)21(25-14-24-18)23-9-17-12-27(19(28)13-29-17)11-16-5-7-26(8-6-16)10-15-3-4-15/h14-17H,2-13H2,1H3,(H,23,24,25).
What are the key properties of 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one?
4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one has a molecular weight of 405.52 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]morpholin-3-one is sourced from PubChem (CID 154564556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).