(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid

C19H23N3O3 — CID 95291535

IUPAC(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid
SMILESCn1cc([C@H]2[C@@H](C(=O)O)CCC(=O)N2CCCc2ccccc2)cn1
InChIInChI=1S/C19H23N3O3/c1-21-13-15(12-20-21)18-16(19(24)25)9-10-17(23)22(18)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12-13,16,18H,5,8-11H2,1H3,(H,24,25)/t16-,18-/m0/s1
InChIKeyAHJFEFUQKIDWJK-WMZOPIPTSA-N
MW341.41 g/mol
LogP2.42
Rot. Bonds6

About (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid

(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid (PubChem CID 95291535) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid
PubChem CID95291535
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid
SMILESCn1cc([C@H]2[C@@H](C(=O)O)CCC(=O)N2CCCc2ccccc2)cn1
InChIInChI=1S/C19H23N3O3/c1-21-13-15(12-20-21)18-16(19(24)25)9-10-17(23)22(18)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12-13,16,18H,5,8-11H2,1H3,(H,24,25)/t16-,18-/m0/s1
InChIKeyAHJFEFUQKIDWJK-WMZOPIPTSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid
CID 95763670
(2S,3R)-1-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291524
(2R,3R)-1-[2-(2-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291497
(2S,3S)-1-(3-cyclopentyloxypropyl)-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291380
(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(thiophen-3-ylmethyl)piperidine-3-carboxylic acid
CID 95321612
(2S,3S)-2-(1-methylpyrazol-4-yl)-5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxylic acid
CID 95763675
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291470
5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136526026
(2S,3S)-2-(3-cyanophenyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 95276730
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid (CID 95291535) is (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid is Cn1cc([C@H]2[C@@H](C(=O)O)CCC(=O)N2CCCc2ccccc2)cn1.
What is the InChIKey of (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid?
The InChIKey is AHJFEFUQKIDWJK-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-13-15(12-20-21)18-16(19(24)25)9-10-17(23)22(18)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12-13,16,18H,5,8-11H2,1H3,(H,24,25)/t16-,18-/m0/s1.
What are the key properties of (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid?
(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95291535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).