1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide

C25H30N4O4 — CID 166190550

IUPAC1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(NC(=O)CC(c3ccccc3)N3CCOC3=O)c2)C1
InChIInChI=1S/C25H30N4O4/c26-24(31)20-9-5-11-28(17-20)16-18-6-4-10-21(14-18)27-23(30)15-22(19-7-2-1-3-8-19)29-12-13-33-25(29)32/h1-4,6-8,10,14,20,22H,5,9,11-13,15-17H2,(H2,26,31)(H,27,30)
InChIKeyUANNCPYUTDTVNH-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.91
Rot. Bonds8

About 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 166190550) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID166190550
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(NC(=O)CC(c3ccccc3)N3CCOC3=O)c2)C1
InChIInChI=1S/C25H30N4O4/c26-24(31)20-9-5-11-28(17-20)16-18-6-4-10-21(14-18)27-23(30)15-22(19-7-2-1-3-8-19)29-12-13-33-25(29)32/h1-4,6-8,10,14,20,22H,5,9,11-13,15-17H2,(H2,26,31)(H,27,30)
InChIKeyUANNCPYUTDTVNH-UHFFFAOYSA-N
XLogP2.91
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 167910233
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 167825637
1-[[4-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide
CID 45166002
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 166190550) is 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cccc(NC(=O)CC(c3ccccc3)N3CCOC3=O)c2)C1.
What is the InChIKey of 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is UANNCPYUTDTVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c26-24(31)20-9-5-11-28(17-20)16-18-6-4-10-21(14-18)27-23(30)15-22(19-7-2-1-3-8-19)29-12-13-33-25(29)32/h1-4,6-8,10,14,20,22H,5,9,11-13,15-17H2,(H2,26,31)(H,27,30).
What are the key properties of 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 166190550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).