(3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid

C21H27N3O4 — CID 162635464

IUPAC(3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CCCc2ccccc2)CN(c2noc(C3CCC3)n2)CC[C@H]1O
InChIInChI=1S/C21H27N3O4/c25-17-11-13-24(20-22-18(28-23-20)16-9-4-10-16)14-21(17,19(26)27)12-5-8-15-6-2-1-3-7-15/h1-3,6-7,16-17,25H,4-5,8-14H2,(H,26,27)/t17-,21-/m1/s1
InChIKeyQOGLDBOYMMYZDS-DYESRHJHSA-N
MW385.46 g/mol
LogP3.00
Rot. Bonds7

About (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid

(3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid (PubChem CID 162635464) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid
PubChem CID162635464
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CCCc2ccccc2)CN(c2noc(C3CCC3)n2)CC[C@H]1O
InChIInChI=1S/C21H27N3O4/c25-17-11-13-24(20-22-18(28-23-20)16-9-4-10-16)14-21(17,19(26)27)12-5-8-15-6-2-1-3-7-15/h1-3,6-7,16-17,25H,4-5,8-14H2,(H,26,27)/t17-,21-/m1/s1
InChIKeyQOGLDBOYMMYZDS-DYESRHJHSA-N
XLogP3.00
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
CID 163309435
(3R,4S)-4-hydroxy-3-(3-phenylpropyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 156586709
(3R,4S)-4-hydroxy-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 155912272
(3R,4S)-1-[2-(dimethylamino)acetyl]-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 156584031
(3R,4S)-4-hydroxy-3-(3-phenylpropyl)-1-(thian-4-yl)piperidine-3-carboxylic acid
CID 155915327
(3R,4S)-4-hydroxy-1-(4-hydroxybenzoyl)-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 165418274
(3R,4S)-4-hydroxy-1-(1-methylpyrrole-2-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 156583745
(3R,4S)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 155916738
(3R,4S)-4-hydroxy-1-[2-(methylamino)pyrimidine-5-carbonyl]-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 165421655
(3R,4R)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 155916898
(3R,4S)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 155918854
(3R,4R)-4-hydroxy-3-(3-phenylpropyl)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 155912950

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid (CID 162635464) is (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid is O=C(O)[C@]1(CCCc2ccccc2)CN(c2noc(C3CCC3)n2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid?
The InChIKey is QOGLDBOYMMYZDS-DYESRHJHSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-17-11-13-24(20-22-18(28-23-20)16-9-4-10-16)14-21(17,19(26)27)12-5-8-15-6-2-1-3-7-15/h1-3,6-7,16-17,25H,4-5,8-14H2,(H,26,27)/t17-,21-/m1/s1.
What are the key properties of (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid?
(3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid has a molecular weight of 385.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 162635464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).