(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid

C18H21N3O3 — CID 95311627

IUPAC(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-16-8-7-15(18(23)24)17(14-5-2-1-3-6-14)21(16)11-4-10-20-12-9-19-13-20/h1-3,5-6,9,12-13,15,17H,4,7-8,10-11H2,(H,23,24)/t15-,17-/m0/s1
InChIKeyANFXGSDGHRIRHA-RDJZCZTQSA-N
MW327.38 g/mol
LogP2.34
Rot. Bonds6

About (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid

(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid (PubChem CID 95311627) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
PubChem CID95311627
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-16-8-7-15(18(23)24)17(14-5-2-1-3-6-14)21(16)11-4-10-20-12-9-19-13-20/h1-3,5-6,9,12-13,15,17H,4,7-8,10-11H2,(H,23,24)/t15-,17-/m0/s1
InChIKeyANFXGSDGHRIRHA-RDJZCZTQSA-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

Analyze (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873840
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
(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,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966
(2S,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7023522
(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
5-(furan-2-yl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrolidin-2-one
CID 70963443
(5S)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 1155695
(4aS,8aR)-1-(3-imidazol-1-ylpropyl)-6-(1H-pyrrole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56905993
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid (CID 95311627) is (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid is O=C(O)[C@H]1CCC(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The InChIKey is ANFXGSDGHRIRHA-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-16-8-7-15(18(23)24)17(14-5-2-1-3-6-14)21(16)11-4-10-20-12-9-19-13-20/h1-3,5-6,9,12-13,15,17H,4,7-8,10-11H2,(H,23,24)/t15-,17-/m0/s1.
What are the key properties of (2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid?
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-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,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 95311627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).