3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid

C15H23N3O3 — CID 129401379

IUPAC3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCCn1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cn1
InChIInChI=1S/C15H23N3O3/c1-2-7-18-11-13(9-16-18)15(21)17-8-3-4-12(10-17)5-6-14(19)20/h9,11-12H,2-8,10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyJSDIVTBVLLQZDD-GFCCVEGCSA-N
MW293.37 g/mol
LogP2.01
Rot. Bonds6

About 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid

3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 129401379) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID129401379
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCCn1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cn1
InChIInChI=1S/C15H23N3O3/c1-2-7-18-11-13(9-16-18)15(21)17-8-3-4-12(10-17)5-6-14(19)20/h9,11-12H,2-8,10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyJSDIVTBVLLQZDD-GFCCVEGCSA-N
XLogP2.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124697707
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
(1-ethylpyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396309
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 120536660
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536442
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 66334339
(1-ethylpyrazol-4-yl)-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95556642
3-[(3S)-1-(1-methylbenzotriazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124698579

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid (CID 129401379) is 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid is CCCn1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cn1.
What is the InChIKey of 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is JSDIVTBVLLQZDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-7-18-11-13(9-16-18)15(21)17-8-3-4-12(10-17)5-6-14(19)20/h9,11-12H,2-8,10H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid?
3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 129401379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).