3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid

C14H23N3O2 — CID 81046095

IUPAC3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(CCn2cccn2)C1
InChIInChI=1S/C14H23N3O2/c1-12(10-14(18)19)13-4-2-6-16(11-13)8-9-17-7-3-5-15-17/h3,5,7,12-13H,2,4,6,8-11H2,1H3,(H,18,19)
InChIKeyTWMOGXYWMXNWJD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.71
Rot. Bonds6

About 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid

3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid (PubChem CID 81046095) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
PubChem CID81046095
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(CCn2cccn2)C1
InChIInChI=1S/C14H23N3O2/c1-12(10-14(18)19)13-4-2-6-16(11-13)8-9-17-7-3-5-15-17/h3,5,7,12-13H,2,4,6,8-11H2,1H3,(H,18,19)
InChIKeyTWMOGXYWMXNWJD-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
CID 81047036
3-[1-(2-propylsulfonylethyl)piperidin-3-yl]butanoic acid
CID 106727653
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
CID 81042767
3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
CID 81046673
3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046459
3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid
CID 81048822
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
3-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 114454980
3-[1-[(3-bromophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81046962
3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
CID 81046611
N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 166604577

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid (CID 81046095) is 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(CCn2cccn2)C1.
What is the InChIKey of 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid?
The InChIKey is TWMOGXYWMXNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12(10-14(18)19)13-4-2-6-16(11-13)8-9-17-7-3-5-15-17/h3,5,7,12-13H,2,4,6,8-11H2,1H3,(H,18,19).
What are the key properties of 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid?
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).