(2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid

C19H23N3O3 — CID 95291505

IUPAC(2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
SMILESCc1ccccc1[C@H]1[C@H](C(=O)O)CCC(=O)N1CCCn1cccn1
InChIInChI=1S/C19H23N3O3/c1-14-6-2-3-7-15(14)18-16(19(24)25)8-9-17(23)22(18)13-5-12-21-11-4-10-20-21/h2-4,6-7,10-11,16,18H,5,8-9,12-13H2,1H3,(H,24,25)/t16-,18+/m1/s1
InChIKeySZRQUNODYAAIQB-AEFFLSMTSA-N
MW341.41 g/mol
LogP2.65
Rot. Bonds6

About (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid

(2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid (PubChem CID 95291505) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
PubChem CID95291505
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
SMILESCc1ccccc1[C@H]1[C@H](C(=O)O)CCC(=O)N1CCCn1cccn1
InChIInChI=1S/C19H23N3O3/c1-14-6-2-3-7-15(14)18-16(19(24)25)8-9-17(23)22(18)13-5-12-21-11-4-10-20-21/h2-4,6-7,10-11,16,18H,5,8-9,12-13H2,1H3,(H,24,25)/t16-,18+/m1/s1
InChIKeySZRQUNODYAAIQB-AEFFLSMTSA-N
XLogP2.65
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
(2S,3R)-6-oxo-1-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpiperidine-3-carboxylic acid
CID 95291466
(2R,3R)-6-oxo-1-(3-pyrazol-1-ylpropyl)-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291557
(2S,3S)-2-(3-fluorophenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95291456
(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid
CID 95291759
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 51982847
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086882
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 79584605
(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086978
(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 16765267

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid (CID 95291505) is (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid is Cc1ccccc1[C@H]1[C@H](C(=O)O)CCC(=O)N1CCCn1cccn1.
What is the InChIKey of (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid?
The InChIKey is SZRQUNODYAAIQB-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-6-2-3-7-15(14)18-16(19(24)25)8-9-17(23)22(18)13-5-12-21-11-4-10-20-21/h2-4,6-7,10-11,16,18H,5,8-9,12-13H2,1H3,(H,24,25)/t16-,18+/m1/s1.
What are the key properties of (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid?
(2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95291505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).