3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide

C22H26N4O3 — CID 126769031

IUPAC3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCOC2=O)cc1)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C22H26N4O3/c27-21(25-12-4-7-19(16-25)24-18-5-2-1-3-6-18)23-15-17-8-10-20(11-9-17)26-13-14-29-22(26)28/h1-3,5-6,8-11,19,24H,4,7,12-16H2,(H,23,27)
InChIKeyPVAYUFYDCNVJSO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.43
Rot. Bonds5

About 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide

3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 126769031) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID126769031
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCOC2=O)cc1)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C22H26N4O3/c27-21(25-12-4-7-19(16-25)24-18-5-2-1-3-6-18)23-15-17-8-10-20(11-9-17)26-13-14-29-22(26)28/h1-3,5-6,8-11,19,24H,4,7,12-16H2,(H,23,27)
InChIKeyPVAYUFYDCNVJSO-UHFFFAOYSA-N
XLogP3.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021
(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 125140514
3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one
CID 126809257
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
1-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3-phenylurea
CID 90554045
N-benzylazonane-1-carboxamide
CID 130689649
3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 24793036
(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 95135179
2-anilinoethanol;3-phenyl-1,3-oxazolidin-2-one
CID 160590052

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide (CID 126769031) is 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1ccc(N2CCOC2=O)cc1)N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is PVAYUFYDCNVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(25-12-4-7-19(16-25)24-18-5-2-1-3-6-18)23-15-17-8-10-20(11-9-17)26-13-14-29-22(26)28/h1-3,5-6,8-11,19,24H,4,7,12-16H2,(H,23,27).
What are the key properties of 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide?
3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126769031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).