3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid

C13H19N3O3 — CID 63904751

IUPAC3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C13H19N3O3/c17-13(18)4-9-19-11-2-7-16(8-3-11)10-12-14-5-1-6-15-12/h1,5-6,11H,2-4,7-10H2,(H,17,18)
InChIKeyULEVGDUDHMFERC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.93
Rot. Bonds6

About 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid

3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63904751) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63904751
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C13H19N3O3/c17-13(18)4-9-19-11-2-7-16(8-3-11)10-12-14-5-1-6-15-12/h1,5-6,11H,2-4,7-10H2,(H,17,18)
InChIKeyULEVGDUDHMFERC-UHFFFAOYSA-N
XLogP0.93
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]pyrimidine
CID 82691618
3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065674
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65066006
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903801
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65479275
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958
3-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 114489078
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065820
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethanone
CID 63845978

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid (CID 63904751) is 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(Cc2ncccn2)CC1.
What is the InChIKey of 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is ULEVGDUDHMFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-13(18)4-9-19-11-2-7-16(8-3-11)10-12-14-5-1-6-15-12/h1,5-6,11H,2-4,7-10H2,(H,17,18).
What are the key properties of 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63904751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).