3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide

C17H25N5O3 — CID 95827098

IUPAC3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
SMILESCC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)NCC(N)=O)n2)C1
InChIInChI=1S/C17H25N5O3/c1-11-8-14(5-6-16(25)19-9-15(18)24)21-17(20-11)13-4-3-7-22(10-13)12(2)23/h8,13H,3-7,9-10H2,1-2H3,(H2,18,24)(H,19,25)/t13-/m0/s1
InChIKeyJHITZSMZENLKJI-ZDUSSCGKSA-N
MW347.42 g/mol
LogP0.05
Rot. Bonds6

About 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide

3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide (PubChem CID 95827098) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
PubChem CID95827098
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
SMILESCC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)NCC(N)=O)n2)C1
InChIInChI=1S/C17H25N5O3/c1-11-8-14(5-6-16(25)19-9-15(18)24)21-17(20-11)13-4-3-7-22(10-13)12(2)23/h8,13H,3-7,9-10H2,1-2H3,(H2,18,24)(H,19,25)/t13-/m0/s1
InChIKeyJHITZSMZENLKJI-ZDUSSCGKSA-N
XLogP0.05
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 124975785
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95826565
N,N-dimethyl-3-[6-methyl-2-[1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
CID 110090169
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
CID 124964765
N-(2-amino-2-oxoethyl)-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]propanamide
CID 110258164
3-[6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 175661809
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide
CID 124942486
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-[6-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 95826563

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide?
The IUPAC name of 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide (CID 95827098) is 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide.
What is the SMILES notation for 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide?
The canonical SMILES for 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide is CC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)NCC(N)=O)n2)C1.
What is the InChIKey of 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide?
The InChIKey is JHITZSMZENLKJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-8-14(5-6-16(25)19-9-15(18)24)21-17(20-11)13-4-3-7-22(10-13)12(2)23/h8,13H,3-7,9-10H2,1-2H3,(H2,18,24)(H,19,25)/t13-/m0/s1.
What are the key properties of 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide?
3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide is sourced from PubChem (CID 95827098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).