1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone

C18H26N4O3 — CID 95846906

IUPAC1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)(c2nc(C)cc(C(=O)N3CCOCC3)n2)CC1
InChIInChI=1S/C18H26N4O3/c1-13-12-15(16(24)22-8-10-25-11-9-22)20-17(19-13)18(3)4-6-21(7-5-18)14(2)23/h12H,4-11H2,1-3H3
InChIKeyIUJPALNYASIDSN-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.16
Rot. Bonds2

About 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone

1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95846906) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID95846906
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)(c2nc(C)cc(C(=O)N3CCOCC3)n2)CC1
InChIInChI=1S/C18H26N4O3/c1-13-12-15(16(24)22-8-10-25-11-9-22)20-17(19-13)18(3)4-6-21(7-5-18)14(2)23/h12H,4-11H2,1-3H3
InChIKeyIUJPALNYASIDSN-UHFFFAOYSA-N
XLogP1.16
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,4-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-yl]-[(6R)-6-(quinolin-8-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124952224
[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324359
[2-(diethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 71688921
(2,6-dimethylpyrimidin-4-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 72874217
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365378
[4-(1-benzofuran-6-ylmethyl)azepan-1-yl]-[2-(1,4-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-yl]methanone
CID 110149829
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324356
1-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326719
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
CID 175658636
(5-methyl-1,2-thiazol-3-yl)-morpholin-4-ylmethanone
CID 84576851

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 95846906) is 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C)(c2nc(C)cc(C(=O)N3CCOCC3)n2)CC1.
What is the InChIKey of 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is IUJPALNYASIDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-12-15(16(24)22-8-10-25-11-9-22)20-17(19-13)18(3)4-6-21(7-5-18)14(2)23/h12H,4-11H2,1-3H3.
What are the key properties of 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone?
1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95846906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).