3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid

C18H29N3O3 — CID 120536660

IUPAC3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCC(CC)n1ncc(C(=O)N2CCCC(CCC(=O)O)C2)c1C
InChIInChI=1S/C18H29N3O3/c1-4-15(5-2)21-13(3)16(11-19-21)18(24)20-10-6-7-14(12-20)8-9-17(22)23/h11,14-15H,4-10,12H2,1-3H3,(H,22,23)
InChIKeyBLNQJUUTMGGSBY-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.27
Rot. Bonds7

About 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 120536660) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID120536660
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCC(CC)n1ncc(C(=O)N2CCCC(CCC(=O)O)C2)c1C
InChIInChI=1S/C18H29N3O3/c1-4-15(5-2)21-13(3)16(11-19-21)18(24)20-10-6-7-14(12-20)8-9-17(22)23/h11,14-15H,4-10,12H2,1-3H3,(H,22,23)
InChIKeyBLNQJUUTMGGSBY-UHFFFAOYSA-N
XLogP3.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,3-difluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 146109373
[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
3-[(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124681902
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 66334339
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 129401379
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120514993
3-[(3R)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 125435416
3-[1-[2-methyl-5-(trifluoromethyl)benzoyl]piperidin-3-yl]propanoic acid
CID 91795487

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid (CID 120536660) is 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid is CCC(CC)n1ncc(C(=O)N2CCCC(CCC(=O)O)C2)c1C.
What is the InChIKey of 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is BLNQJUUTMGGSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-15(5-2)21-13(3)16(11-19-21)18(24)20-10-6-7-14(12-20)8-9-17(22)23/h11,14-15H,4-10,12H2,1-3H3,(H,22,23).
What are the key properties of 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 335.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 120536660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).