1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone

C19H30N4O3 — CID 70726220

IUPAC1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C19H30N4O3/c1-3-9-26-14-19(24)23-6-4-5-16(13-23)17-12-18(21-15(2)20-17)22-7-10-25-11-8-22/h12,16H,3-11,13-14H2,1-2H3
InChIKeyMGSZWSMLEOGGOA-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.75
Rot. Bonds6

About 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone

1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone (PubChem CID 70726220) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone.

Molecular Properties

Compound Name1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
PubChem CID70726220
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C19H30N4O3/c1-3-9-26-14-19(24)23-6-4-5-16(13-23)17-12-18(21-15(2)20-17)22-7-10-25-11-8-22/h12,16H,3-11,13-14H2,1-2H3
InChIKeyMGSZWSMLEOGGOA-UHFFFAOYSA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-Oxo-2-{4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}ethyl)morpholine
CID 70708382
N-ethyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}propanamide
CID 56886571
2-{4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56895028
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56903888
N-cyclopropyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56910246
(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
2-{3-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56915341
4-{6-[1-(Isopropoxyacetyl)-4-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70709841
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanamine
CID 70751277
2-({4-[6-(1-Pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}carbonyl)morpholine
CID 70754172
4-{2-Methyl-6-[1-(2-methylpentanoyl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 70758953
2-(2-Methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70763270

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone?
The IUPAC name of 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone (CID 70726220) is 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone.
What is the SMILES notation for 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone?
The canonical SMILES for 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone is CCCOCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1.
What is the InChIKey of 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone?
The InChIKey is MGSZWSMLEOGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-9-26-14-19(24)23-6-4-5-16(13-23)17-12-18(21-15(2)20-17)22-7-10-25-11-8-22/h12,16H,3-11,13-14H2,1-2H3.
What are the key properties of 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone?
1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone has a molecular weight of 362.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone is sourced from PubChem (CID 70726220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).