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

C18H21N3O3 — CID 95301325

IUPAC(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N(CCCn2cccn2)[C@H]1c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-16-9-8-15(18(23)24)17(14-6-2-1-3-7-14)21(16)13-5-12-20-11-4-10-19-20/h1-4,6-7,10-11,15,17H,5,8-9,12-13H2,(H,23,24)/t15-,17+/m1/s1
InChIKeyZJELWMGZJKZQSV-WBVHZDCISA-N
MW327.38 g/mol
LogP2.34
Rot. Bonds6

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

(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid (PubChem CID 95301325) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
PubChem CID95301325
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N(CCCn2cccn2)[C@H]1c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-16-9-8-15(18(23)24)17(14-6-2-1-3-7-14)21(16)13-5-12-20-11-4-10-19-20/h1-4,6-7,10-11,15,17H,5,8-9,12-13H2,(H,23,24)/t15-,17+/m1/s1
InChIKeyZJELWMGZJKZQSV-WBVHZDCISA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(3-fluorophenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95291456
(2S,3R)-6-oxo-1-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpiperidine-3-carboxylic acid
CID 95291466
(2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95291505
(2R,3R)-6-oxo-1-(3-pyrazol-1-ylpropyl)-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291557
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 102549060
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966
(2S,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7023522
(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 95291535
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid (CID 95301325) is (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCC(=O)N(CCCn2cccn2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid?
The InChIKey is ZJELWMGZJKZQSV-WBVHZDCISA-N. The full InChI is InChI=1S/C18H21N3O3/c22-16-9-8-15(18(23)24)17(14-6-2-1-3-7-14)21(16)13-5-12-20-11-4-10-19-20/h1-4,6-7,10-11,15,17H,5,8-9,12-13H2,(H,23,24)/t15-,17+/m1/s1.
What are the key properties of (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid?
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95301325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).