6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid

C19H23N3O3 — CID 122114200

IUPAC6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H23N3O3/c1-14-7-9-16(19(24)25)13-21(14)18(23)10-8-15-11-20-22(12-15)17-5-3-2-4-6-17/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,24,25)
InChIKeyZSZBBZGPIXKAMG-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.52
Rot. Bonds5

About 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid

6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 122114200) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID122114200
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H23N3O3/c1-14-7-9-16(19(24)25)13-21(14)18(23)10-8-15-11-20-22(12-15)17-5-3-2-4-6-17/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,24,25)
InChIKeyZSZBBZGPIXKAMG-UHFFFAOYSA-N
XLogP2.52
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 124731950
6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113865
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
N-[[1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073396
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 46458650
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119434870
(3S)-2-[3-(1-phenylpyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151408
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
6-methyl-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114448
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 94487032
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119649031
3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 48689278

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid (CID 122114200) is 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is ZSZBBZGPIXKAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-7-9-16(19(24)25)13-21(14)18(23)10-8-15-11-20-22(12-15)17-5-3-2-4-6-17/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,24,25).
What are the key properties of 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122114200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).