4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid

C21H23N3O3 — CID 141171765

IUPAC4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2/C(=N/c3ccccc3)OC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c25-21(26)23-13-11-18(12-14-23)24-19(16-7-3-1-4-8-16)15-27-20(24)22-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,25,26)/b22-20-/t19-/m0/s1
InChIKeyCRITXPVMMRYTEI-MMDUXOIOSA-N
MW365.43 g/mol
LogP3.89
Rot. Bonds3

About 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid

4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid (PubChem CID 141171765) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid
PubChem CID141171765
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2/C(=N/c3ccccc3)OC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c25-21(26)23-13-11-18(12-14-23)24-19(16-7-3-1-4-8-16)15-27-20(24)22-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,25,26)/b22-20-/t19-/m0/s1
InChIKeyCRITXPVMMRYTEI-MMDUXOIOSA-N
XLogP3.89
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842799
4-[2-oxo-2-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 74228595
dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 3869172
3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3844213
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842713
4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 3486012
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbothioamide
CID 3687517
N-(5-chloro-2-methoxyphenyl)-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 74225372
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 143706107
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
3-[1-[3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3775880

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid (CID 141171765) is 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(N2/C(=N/c3ccccc3)OC[C@H]2c2ccccc2)CC1.
What is the InChIKey of 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid?
The InChIKey is CRITXPVMMRYTEI-MMDUXOIOSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-21(26)23-13-11-18(12-14-23)24-19(16-7-3-1-4-8-16)15-27-20(24)22-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,25,26)/b22-20-/t19-/m0/s1.
What are the key properties of 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid?
4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-phenyl-2-phenylimino-1,3-oxazolidin-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141171765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).