(3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid

C17H19N3O4 — CID 165428792

IUPAC(3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(c1cnc[nH]1)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1
InChIInChI=1S/C17H19N3O4/c21-14-6-7-20(15(22)13-9-18-11-19-13)10-17(14,16(23)24)8-12-4-2-1-3-5-12/h1-5,9,11,14,21H,6-8,10H2,(H,18,19)(H,23,24)/t14-,17-/m1/s1
InChIKeyTZYGGRJFCSYCAP-RHSMWYFYSA-N
MW329.36 g/mol
LogP0.93
Rot. Bonds4

About (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid

(3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 165428792) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID165428792
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(c1cnc[nH]1)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1
InChIInChI=1S/C17H19N3O4/c21-14-6-7-20(15(22)13-9-18-11-19-13)10-17(14,16(23)24)8-12-4-2-1-3-5-12/h1-5,9,11,14,21H,6-8,10H2,(H,18,19)(H,23,24)/t14-,17-/m1/s1
InChIKeyTZYGGRJFCSYCAP-RHSMWYFYSA-N
XLogP0.93
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 157012893
(3R,4S)-3-benzyl-4-hydroxy-1-(1H-indole-5-carbonyl)piperidine-3-carboxylic acid
CID 164699959
(3R,4S)-3-benzyl-4-hydroxy-1-[4-(2-methylpropyl)benzoyl]piperidine-3-carboxylic acid
CID 164689684
(3R,4S)-3-benzyl-4-hydroxy-1-[4-(1H-pyrazol-5-yl)benzoyl]piperidine-3-carboxylic acid
CID 166614264
(3R,4R)-3-benzyl-1-(4-chloro-1-methylpyrazole-3-carbonyl)-4-hydroxypiperidine-3-carboxylic acid
CID 165425412
(3R,4S)-3-benzyl-4-hydroxy-1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 164688644
(3R,4S)-3-benzyl-4-hydroxy-1-(quinoline-5-carbonyl)piperidine-3-carboxylic acid
CID 164696101
(3R,4R)-3-benzyl-4-hydroxy-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 163318555
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 166617407
(3R,4S)-3-benzyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-hydroxypiperidine-3-carboxylic acid
CID 164699824
(3R,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1H-indole-7-carbonyl)piperidine-3-carboxylic acid
CID 164690689
(3R,4R)-1-(2,5-difluorobenzoyl)-3-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 164699393

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid (CID 165428792) is (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid is O=C(c1cnc[nH]1)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1.
What is the InChIKey of (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is TZYGGRJFCSYCAP-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-14-6-7-20(15(22)13-9-18-11-19-13)10-17(14,16(23)24)8-12-4-2-1-3-5-12/h1-5,9,11,14,21H,6-8,10H2,(H,18,19)(H,23,24)/t14-,17-/m1/s1.
What are the key properties of (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid?
(3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 165428792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).