3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid

C13H21N3O3 — CID 65066006

IUPAC3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESCn1nccc1CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H21N3O3/c1-15-11(2-6-14-15)10-16-7-3-12(4-8-16)19-9-5-13(17)18/h2,6,12H,3-5,7-10H2,1H3,(H,17,18)
InChIKeyUDVXNCAPAWTXMD-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.88
Rot. Bonds6

About 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 65066006) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID65066006
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESCn1nccc1CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H21N3O3/c1-15-11(2-6-14-15)10-16-7-3-12(4-8-16)19-9-5-13(17)18/h2,6,12H,3-5,7-10H2,1H3,(H,17,18)
InChIKeyUDVXNCAPAWTXMD-UHFFFAOYSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
2-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 114557952
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63905513
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65479275
3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065674
3-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 114489078
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958
3-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63905518
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065820
4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981140
3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903801

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid (CID 65066006) is 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid is Cn1nccc1CN1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is UDVXNCAPAWTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-15-11(2-6-14-15)10-16-7-3-12(4-8-16)19-9-5-13(17)18/h2,6,12H,3-5,7-10H2,1H3,(H,17,18).
What are the key properties of 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 267.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 65066006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).