(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide

C24H25N3O3 — CID 52516163

IUPAC(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(-c4ccccc4)on3)C2)cc1
InChIInChI=1S/C24H25N3O3/c1-17-9-11-19(12-10-17)24(29)27-13-5-8-20(16-27)23(28)25-15-21-14-22(30-26-21)18-6-3-2-4-7-18/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyASEIWFTVFLHPER-HXUWFJFHSA-N
MW403.48 g/mol
LogP3.82
Rot. Bonds5

About (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide

(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 52516163) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID52516163
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(-c4ccccc4)on3)C2)cc1
InChIInChI=1S/C24H25N3O3/c1-17-9-11-19(12-10-17)24(29)27-13-5-8-20(16-27)23(28)25-15-21-14-22(30-26-21)18-6-3-2-4-7-18/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyASEIWFTVFLHPER-HXUWFJFHSA-N
XLogP3.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
(5-phenyl-1,2-oxazol-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459448
1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280
(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
CID 124739989
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide (CID 52516163) is (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(-c4ccccc4)on3)C2)cc1.
What is the InChIKey of (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ASEIWFTVFLHPER-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-9-11-19(12-10-17)24(29)27-13-5-8-20(16-27)23(28)25-15-21-14-22(30-26-21)18-6-3-2-4-7-18/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 52516163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).