1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide

C25H28N4O3 — CID 86964171

IUPAC1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide
SMILESCC(C)c1cnc(-c2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)o1
InChIInChI=1S/C25H28N4O3/c1-17(2)22-16-26-24(32-22)19-8-10-21(11-9-19)27-23(30)18-12-14-29(15-13-18)25(31)28-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeySRBJVSZDTOSSAX-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.35
Rot. Bonds5

About 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 86964171) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide
PubChem CID86964171
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide
SMILESCC(C)c1cnc(-c2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)o1
InChIInChI=1S/C25H28N4O3/c1-17(2)22-16-26-24(32-22)19-8-10-21(11-9-19)27-23(30)18-12-14-29(15-13-18)25(31)28-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeySRBJVSZDTOSSAX-UHFFFAOYSA-N
XLogP5.35
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
CID 78772201
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 86964206
4-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 75369112
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
4-N-[1-(furan-2-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 47008803
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide (CID 86964171) is 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide is CC(C)c1cnc(-c2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)o1.
What is the InChIKey of 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is SRBJVSZDTOSSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17(2)22-16-26-24(32-22)19-8-10-21(11-9-19)27-23(30)18-12-14-29(15-13-18)25(31)28-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 432.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86964171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).