3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid

C14H23N3O2 — CID 106758943

IUPAC3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid
SMILESCC(c1ccnn1C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H23N3O2/c1-11(13-5-8-15-16(13)2)17-9-6-12(7-10-17)3-4-14(18)19/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyOCKMJTOEBFSDGS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds5

About 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid

3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid (PubChem CID 106758943) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid
PubChem CID106758943
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid
SMILESCC(c1ccnn1C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H23N3O2/c1-11(13-5-8-15-16(13)2)17-9-6-12(7-10-17)3-4-14(18)19/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyOCKMJTOEBFSDGS-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid
CID 106758916
1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 82400789
2-[4-[1-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepan-1-yl]acetic acid
CID 106758949
3-[1-[1-(2,5-dihydroxyphenyl)ethyl]piperidin-4-yl]propanoic acid
CID 65062883
3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid
CID 65062393
3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 122111368
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983
1-[1-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 83830839
3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
CID 115496186
3-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 107711629
3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 114080504
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid (CID 106758943) is 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid is CC(c1ccnn1C)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid?
The InChIKey is OCKMJTOEBFSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(13-5-8-15-16(13)2)17-9-6-12(7-10-17)3-4-14(18)19/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid?
3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid has a molecular weight of 265.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 106758943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).