4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one

C14H20N4O2 — CID 162533416

IUPAC4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one
SMILESCC1COCCN1C1CC(=O)NC(c2cncnc2)C1
InChIInChI=1S/C14H20N4O2/c1-10-8-20-3-2-18(10)12-4-13(17-14(19)5-12)11-6-15-9-16-7-11/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,17,19)
InChIKeyDXNFENHDWBTIOG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.52
Rot. Bonds2

About 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one

4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one (PubChem CID 162533416) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one
PubChem CID162533416
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one
SMILESCC1COCCN1C1CC(=O)NC(c2cncnc2)C1
InChIInChI=1S/C14H20N4O2/c1-10-8-20-3-2-18(10)12-4-13(17-14(19)5-12)11-6-15-9-16-7-11/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,17,19)
InChIKeyDXNFENHDWBTIOG-UHFFFAOYSA-N
XLogP0.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9193689, Ref-1
CID 121596831
US10183009, Example 105
CID 138375296
US10906888, Example 103
CID 145441218
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
2-(2-Methoxyethyl)-8-{[2-(methylamino)-5-pyrimidinyl]carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
CID 70705443
US10906888, Example 55
CID 146186426
1'-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide
CID 56863879
[(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95463750
N-ethyl-2-(morpholin-4-yl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-8-carboxamide
CID 131704120
3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
CID 164637606
(6R)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 164641719
(3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95445436

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one?
The IUPAC name of 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one (CID 162533416) is 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one is CC1COCCN1C1CC(=O)NC(c2cncnc2)C1.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one?
The InChIKey is DXNFENHDWBTIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-8-20-3-2-18(10)12-4-13(17-14(19)5-12)11-6-15-9-16-7-11/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,17,19).
What are the key properties of 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one?
4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)-6-pyrimidin-5-ylpiperidin-2-one is sourced from PubChem (CID 162533416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).