3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

C22H29N5O2 — CID 126942767

IUPAC3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCC(=O)N1CCCC1CN1CCC(Cn2cnc(-c3ccncc3)cc2=O)CC1
InChIInChI=1S/C22H29N5O2/c1-17(28)27-10-2-3-20(27)15-25-11-6-18(7-12-25)14-26-16-24-21(13-22(26)29)19-4-8-23-9-5-19/h4-5,8-9,13,16,18,20H,2-3,6-7,10-12,14-15H2,1H3
InChIKeyCNXKKKWLKCDKOI-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.03
Rot. Bonds5

About 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 126942767) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID126942767
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCC(=O)N1CCCC1CN1CCC(Cn2cnc(-c3ccncc3)cc2=O)CC1
InChIInChI=1S/C22H29N5O2/c1-17(28)27-10-2-3-20(27)15-25-11-6-18(7-12-25)14-26-16-24-21(13-22(26)29)19-4-8-23-9-5-19/h4-5,8-9,13,16,18,20H,2-3,6-7,10-12,14-15H2,1H3
InChIKeyCNXKKKWLKCDKOI-UHFFFAOYSA-N
XLogP2.03
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944971
3-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942852
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942798
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942600
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942845
3-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942888
3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942699
6-pyridin-4-yl-3-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942667
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
3-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942501
6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942580
N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126942500

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (CID 126942767) is 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is CC(=O)N1CCCC1CN1CCC(Cn2cnc(-c3ccncc3)cc2=O)CC1.
What is the InChIKey of 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is CNXKKKWLKCDKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17(28)27-10-2-3-20(27)15-25-11-6-18(7-12-25)14-26-16-24-21(13-22(26)29)19-4-8-23-9-5-19/h4-5,8-9,13,16,18,20H,2-3,6-7,10-12,14-15H2,1H3.
What are the key properties of 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 395.51 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 126942767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).