3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide

C14H22N4O3S — CID 95826565

IUPAC3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
SMILESCc1cc(CCC(N)=O)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-10-8-12(5-6-13(15)19)17-14(16-10)11-4-3-7-18(9-11)22(2,20)21/h8,11H,3-7,9H2,1-2H3,(H2,15,19)/t11-/m1/s1
InChIKeyPUJCVDNZBPCTKG-LLVKDONJSA-N
MW326.42 g/mol
LogP0.34
Rot. Bonds5

About 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide

3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide (PubChem CID 95826565) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
PubChem CID95826565
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
SMILESCc1cc(CCC(N)=O)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-10-8-12(5-6-13(15)19)17-14(16-10)11-4-3-7-18(9-11)22(2,20)21/h8,11H,3-7,9H2,1-2H3,(H2,15,19)/t11-/m1/s1
InChIKeyPUJCVDNZBPCTKG-LLVKDONJSA-N
XLogP0.34
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 95826563
4-[6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-yl]benzoic acid
CID 110112211
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 124944043
3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 95827098
1-(2-benzyl-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-11-yl)-3-[6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-yl]propan-1-one
CID 133070088
N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 110257351
3-[6-methyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 95827284
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
N,N-dimethyl-3-[6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanamide
CID 110258190
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95827163
3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide
CID 124942486
3-[6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 175661809

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide?
The IUPAC name of 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide (CID 95826565) is 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide.
What is the SMILES notation for 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide?
The canonical SMILES for 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide is Cc1cc(CCC(N)=O)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide?
The InChIKey is PUJCVDNZBPCTKG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10-8-12(5-6-13(15)19)17-14(16-10)11-4-3-7-18(9-11)22(2,20)21/h8,11H,3-7,9H2,1-2H3,(H2,15,19)/t11-/m1/s1.
What are the key properties of 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide?
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide has a molecular weight of 326.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 95826565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).