3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C18H28FN5O2 — CID 72883574

IUPAC3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCN(C)c1nc(N2CCC(CCC(=O)N3CCOCC3)CC2)ncc1F
InChIInChI=1S/C18H28FN5O2/c1-22(2)17-15(19)13-20-18(21-17)24-7-5-14(6-8-24)3-4-16(25)23-9-11-26-12-10-23/h13-14H,3-12H2,1-2H3
InChIKeyJTWOGPIDMAYEHT-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.54
Rot. Bonds5

About 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 72883574) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID72883574
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCN(C)c1nc(N2CCC(CCC(=O)N3CCOCC3)CC2)ncc1F
InChIInChI=1S/C18H28FN5O2/c1-22(2)17-15(19)13-20-18(21-17)24-7-5-14(6-8-24)3-4-16(25)23-9-11-26-12-10-23/h13-14H,3-12H2,1-2H3
InChIKeyJTWOGPIDMAYEHT-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 72883574) is 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is CN(C)c1nc(N2CCC(CCC(=O)N3CCOCC3)CC2)ncc1F.
What is the InChIKey of 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is JTWOGPIDMAYEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-22(2)17-15(19)13-20-18(21-17)24-7-5-14(6-8-24)3-4-16(25)23-9-11-26-12-10-23/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 365.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 72883574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).