2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

C16H24N6O3 — CID 133296827

IUPAC2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C16H24N6O3/c1-19(2)13(23)10-22-7-5-11(6-8-22)18-14-12(9-17)15(24)21(4)16(25)20(14)3/h11,18H,5-8,10H2,1-4H3
InChIKeyOHHNGEKUDSQISG-UHFFFAOYSA-N
MW348.41 g/mol
LogP-1.08
Rot. Bonds4

About 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 133296827) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID133296827
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C16H24N6O3/c1-19(2)13(23)10-22-7-5-11(6-8-22)18-14-12(9-17)15(24)21(4)16(25)20(14)3/h11,18H,5-8,10H2,1-4H3
InChIKeyOHHNGEKUDSQISG-UHFFFAOYSA-N
XLogP-1.08
TPSA103.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43762358
1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
CID 95288438
2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
N,N-dimethyl-2-[4-[(4-methylpiperazin-1-yl)amino]piperidin-1-yl]acetamide
CID 83009899
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyrimidine-5-carbonitrile
CID 129473642
1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
CID 95341786
4-[3-[cyclohexyl(methyl)amino]propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 36725356
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43765633
2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (CID 133296827) is 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is OHHNGEKUDSQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-19(2)13(23)10-22-7-5-11(6-8-22)18-14-12(9-17)15(24)21(4)16(25)20(14)3/h11,18H,5-8,10H2,1-4H3.
What are the key properties of 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 348.41 g/mol, XLogP of -1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 133296827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).