1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one

C21H32N4O3 — CID 110088511

IUPAC1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1
InChIInChI=1S/C21H32N4O3/c1-15-18(13-20(27)24-9-5-4-6-10-24)16(2)23-21(22-15)17-7-11-25(14-17)19(26)8-12-28-3/h17H,4-14H2,1-3H3
InChIKeyGPQLDLXKMQLSJT-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.00
Rot. Bonds6

About 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one

1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one (PubChem CID 110088511) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
PubChem CID110088511
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1
InChIInChI=1S/C21H32N4O3/c1-15-18(13-20(27)24-9-5-4-6-10-24)16(2)23-21(22-15)17-7-11-25(14-17)19(26)8-12-28-3/h17H,4-14H2,1-3H3
InChIKeyGPQLDLXKMQLSJT-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4,6-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110083265
2-[2-[(3S)-1-benzoylpyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-pyrrolidin-1-ylethanone
CID 125023466
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
2-[2-[(3S)-1-benzylpiperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 124980298
2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 110083249
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
N-cyclohexyl-2-[2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110088530
N-cyclohexyl-2-[2-[(3R)-1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124995261
N-cyclohexyl-2-[4,6-dimethyl-2-[(3S)-1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]pyrimidin-5-yl]acetamide
CID 124973262
1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
CID 110263450
2-[2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N,N-dimethylacetamide
CID 124991959
3-methoxy-1-[(3R)-3-[8-[(4-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622431

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one (CID 110088511) is 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC(c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1.
What is the InChIKey of 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is GPQLDLXKMQLSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15-18(13-20(27)24-9-5-4-6-10-24)16(2)23-21(22-15)17-7-11-25(14-17)19(26)8-12-28-3/h17H,4-14H2,1-3H3.
What are the key properties of 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one?
1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 388.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 110088511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).