1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one

C18H28FN5O2 — CID 50975283

IUPAC1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(CNc2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H28FN5O2/c1-13(2)17(25)24-5-3-14(4-6-24)11-20-18-21-12-15(19)16(22-18)23-7-9-26-10-8-23/h12-14H,3-11H2,1-2H3,(H,20,21,22)
InChIKeyUDHPAOQQIKCCNX-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 50975283) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID50975283
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(CNc2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H28FN5O2/c1-13(2)17(25)24-5-3-14(4-6-24)11-20-18-21-12-15(19)16(22-18)23-7-9-26-10-8-23/h12-14H,3-11H2,1-2H3,(H,20,21,22)
InChIKeyUDHPAOQQIKCCNX-UHFFFAOYSA-N
XLogP1.76
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
CID 134612280
N~4~-cyclopentyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165784
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
1-(4-((5-fluoro-4-((S)-3-((S)-3-hydroxypyrrolidine-1-carbonyl)piperidin-1-yl)pyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172590065
1-(4-((5-fluoro-4-((S)-3-((R)-3-hydroxypyrrolidine-1-carbonyl)piperidin-1-yl)pyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172590162
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
trans-N-(4-((5-fluoro-4-morpholinopyrimidin-2-yl)amino)cyclohexyl)acetamide
CID 172592025
1-[4-(Dimethylamino)-5-pyrimidinyl]-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 53165542
N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165691
N-(2-Methoxyethyl)-1-[4-(piperidin-1-YL)pyrimidin-5-YL]piperidine-4-carboxamide
CID 53165693
N-(3-Methoxypropyl)-1-[4-(piperidin-1-YL)pyrimidin-5-YL]piperidine-4-carboxamide
CID 53165697

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 50975283) is 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(CNc2ncc(F)c(N3CCOCC3)n2)CC1.
What is the InChIKey of 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is UDHPAOQQIKCCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-13(2)17(25)24-5-3-14(4-6-24)11-20-18-21-12-15(19)16(22-18)23-7-9-26-10-8-23/h12-14H,3-11H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 365.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 50975283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).