3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide

C17H28N4O2 — CID 124942486

IUPAC3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide
SMILESCc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(CCO)C2)n1
InChIInChI=1S/C17H28N4O2/c1-13-11-15(6-7-16(23)20(2)3)19-17(18-13)14-5-4-8-21(12-14)9-10-22/h11,14,22H,4-10,12H2,1-3H3/t14-/m0/s1
InChIKeyAVNDMHAIXVOINC-AWEZNQCLSA-N
MW320.44 g/mol
LogP0.98
Rot. Bonds6

About 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide

3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide (PubChem CID 124942486) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide
PubChem CID124942486
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide
SMILESCc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(CCO)C2)n1
InChIInChI=1S/C17H28N4O2/c1-13-11-15(6-7-16(23)20(2)3)19-17(18-13)14-5-4-8-21(12-14)9-10-22/h11,14,22H,4-10,12H2,1-3H3/t14-/m0/s1
InChIKeyAVNDMHAIXVOINC-AWEZNQCLSA-N
XLogP0.98
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95827163
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-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
CID 124964765
N,N-dimethyl-3-[6-methyl-2-[1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
CID 110090169
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95826565
2-[(3R)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820195
2-[(3S)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820196
3-[6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 175661809
N,N-dimethyl-3-[6-[(3R)-1-methylpiperidin-3-yl]-2-pyridinyl]propanamide
CID 95842659
3-[6-methyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 95827284
3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 95827098
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide (CID 124942486) is 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide is Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(CCO)C2)n1.
What is the InChIKey of 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide?
The InChIKey is AVNDMHAIXVOINC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-11-15(6-7-16(23)20(2)3)19-17(18-13)14-5-4-8-21(12-14)9-10-22/h11,14,22H,4-10,12H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide?
3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide has a molecular weight of 320.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 124942486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).