3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

C21H24N4O2 — CID 126941047

IUPAC3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c(=O)c1C
InChIInChI=1S/C21H24N4O2/c1-14-15(2)23-13-25(20(14)26)12-16-7-9-24(10-8-16)21(27)18-11-22-19-6-4-3-5-17(18)19/h3-6,11,13,16,22H,7-10,12H2,1-2H3
InChIKeyVZFNKONXECNQNB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.89
Rot. Bonds3

About 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941047) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941047
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c(=O)c1C
InChIInChI=1S/C21H24N4O2/c1-14-15(2)23-13-25(20(14)26)12-16-7-9-24(10-8-16)21(27)18-11-22-19-6-4-3-5-17(18)19/h3-6,11,13,16,22H,7-10,12H2,1-2H3
InChIKeyVZFNKONXECNQNB-UHFFFAOYSA-N
XLogP2.89
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one with MolForge

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Related Compounds

6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943804
3-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941103
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941064
3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988468
N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide
CID 52901087
4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540730
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
5,6-dimethyl-3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941072
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
3-[[1-(1H-indole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942543

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941047) is 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c(=O)c1C.
What is the InChIKey of 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is VZFNKONXECNQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-15(2)23-13-25(20(14)26)12-16-7-9-24(10-8-16)21(27)18-11-22-19-6-4-3-5-17(18)19/h3-6,11,13,16,22H,7-10,12H2,1-2H3.
What are the key properties of 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).