3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide

C16H25N5O2 — CID 124943919

IUPAC3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc([C@H]2CCCN(C(=O)CN)C2)nc(C)n1
InChIInChI=1S/C16H25N5O2/c1-11-19-13(5-6-15(22)18-2)8-14(20-11)12-4-3-7-21(10-12)16(23)9-17/h8,12H,3-7,9-10,17H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyBGDRFDYCXUHBJV-LBPRGKRZSA-N
MW319.41 g/mol
LogP0.13
Rot. Bonds5

About 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide

3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide (PubChem CID 124943919) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
PubChem CID124943919
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc([C@H]2CCCN(C(=O)CN)C2)nc(C)n1
InChIInChI=1S/C16H25N5O2/c1-11-19-13(5-6-15(22)18-2)8-14(20-11)12-4-3-7-21(10-12)16(23)9-17/h8,12H,3-7,9-10,17H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyBGDRFDYCXUHBJV-LBPRGKRZSA-N
XLogP0.13
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
CID 124996733
3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
CID 110097362
2-hydroxy-1-[(3R)-3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124950305
3-[2-methyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanoic acid
CID 110256796
1-[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95845771
3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 66509805
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
3-(6-cyclobutyl-2-methylpyrimidin-4-yl)propan-1-amine
CID 83848275
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
ethyl 3-[6-(1-formylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoate
CID 175656212
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
CID 95826583
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide?
The IUPAC name of 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide (CID 124943919) is 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide?
The canonical SMILES for 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide is CNC(=O)CCc1cc([C@H]2CCCN(C(=O)CN)C2)nc(C)n1.
What is the InChIKey of 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide?
The InChIKey is BGDRFDYCXUHBJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11-19-13(5-6-15(22)18-2)8-14(20-11)12-4-3-7-21(10-12)16(23)9-17/h8,12H,3-7,9-10,17H2,1-2H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide?
3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 124943919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).