3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

C18H28N4O2 — CID 126940895

IUPAC3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCC(=O)N1CCCC1CN1CCC(Cn2cncc(C)c2=O)CC1
InChIInChI=1S/C18H28N4O2/c1-14-10-19-13-21(18(14)24)11-16-5-8-20(9-6-16)12-17-4-3-7-22(17)15(2)23/h10,13,16-17H,3-9,11-12H2,1-2H3
InChIKeyXJTMWHGRYYIEOK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.27
Rot. Bonds4

About 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940895) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940895
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCC(=O)N1CCCC1CN1CCC(Cn2cncc(C)c2=O)CC1
InChIInChI=1S/C18H28N4O2/c1-14-10-19-13-21(18(14)24)11-16-5-8-20(9-6-16)12-17-4-3-7-22(17)15(2)23/h10,13,16-17H,3-9,11-12H2,1-2H3
InChIKeyXJTMWHGRYYIEOK-UHFFFAOYSA-N
XLogP1.27
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one with MolForge

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Related Compounds

5-Methyl-3-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940897
5-Methyl-3-{[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940651
5-Methyl-3-{[1-(pyrrolidine-1-sulfonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940681
5-Methyl-3-{[1-(propan-2-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940713
3-[(1-Cyclopentylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940714
5-Methyl-3-{[1-(2-methylpropyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940716
3-[(1-Cyclohexylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940717
5-Methyl-3-({1-[2-(piperidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940719
5-Methyl-3-({1-[2-(pyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940720
5-Methyl-3-({1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940723
3-({1-[2-(Azepan-1-yl)ethyl]piperidin-4-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940776
1-Methyl-7-({4-[(5-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126940793

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940895) is 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is CC(=O)N1CCCC1CN1CCC(Cn2cncc(C)c2=O)CC1.
What is the InChIKey of 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is XJTMWHGRYYIEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-10-19-13-21(18(14)24)11-16-5-8-20(9-6-16)12-17-4-3-7-22(17)15(2)23/h10,13,16-17H,3-9,11-12H2,1-2H3.
What are the key properties of 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).