3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid

C16H23N3O3 — CID 138033272

IUPAC3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid
SMILESCc1nccc(CCC(=O)N2CCC(CCC(=O)O)CC2)n1
InChIInChI=1S/C16H23N3O3/c1-12-17-9-6-14(18-12)3-4-15(20)19-10-7-13(8-11-19)2-5-16(21)22/h6,9,13H,2-5,7-8,10-11H2,1H3,(H,21,22)
InChIKeyVUXMQIGZOQZJEB-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.82
Rot. Bonds6

About 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid

3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid (PubChem CID 138033272) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid
PubChem CID138033272
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid
SMILESCc1nccc(CCC(=O)N2CCC(CCC(=O)O)CC2)n1
InChIInChI=1S/C16H23N3O3/c1-12-17-9-6-14(18-12)3-4-15(20)19-10-7-13(8-11-19)2-5-16(21)22/h6,9,13H,2-5,7-8,10-11H2,1H3,(H,21,22)
InChIKeyVUXMQIGZOQZJEB-UHFFFAOYSA-N
XLogP1.82
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 66509805
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92638098
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 107242512
1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 67753529
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62217825

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid (CID 138033272) is 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid is Cc1nccc(CCC(=O)N2CCC(CCC(=O)O)CC2)n1.
What is the InChIKey of 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid?
The InChIKey is VUXMQIGZOQZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-17-9-6-14(18-12)3-4-15(20)19-10-7-13(8-11-19)2-5-16(21)22/h6,9,13H,2-5,7-8,10-11H2,1H3,(H,21,22).
What are the key properties of 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid?
3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid has a molecular weight of 305.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-methylpyrimidin-4-yl)propanoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 138033272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).