1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide

C26H31N3O3 — CID 25102401

IUPAC1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1(CC2CC(c3ccccc3)=NO2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H31N3O3/c1-2-15-27-25(31)26(19-22-18-23(28-32-22)20-9-5-3-6-10-20)13-16-29(17-14-26)24(30)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3,(H,27,31)
InChIKeyTVUJIOFNTHHEQT-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.02
Rot. Bonds7

About 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide

1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide (PubChem CID 25102401) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide
PubChem CID25102401
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1(CC2CC(c3ccccc3)=NO2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H31N3O3/c1-2-15-27-25(31)26(19-22-18-23(28-32-22)20-9-5-3-6-10-20)13-16-29(17-14-26)24(30)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3,(H,27,31)
InChIKeyTVUJIOFNTHHEQT-UHFFFAOYSA-N
XLogP4.02
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(1-methylcyclopropanecarbonyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 23641182
1-benzoyl-4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 24816804
1-benzoyl-4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptylpiperidine-4-carboxamide
CID 24856188
1-benzoyl-4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 24856204
Tert-butyl 4-(benzylcarbamoyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1-carboxylate
CID 25102400
1-(cyclopentanecarbonyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 25102402
1-benzoyl-N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 25163917
N-benzyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 42601284
1-[2-(4-fluorophenyl)acetyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 23641183
1-benzoyl-4-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptylpiperidine-4-carboxamide
CID 24982197
Tert-butyl 4-(heptylcarbamoyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1-carboxylate
CID 25102399
N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 25163925

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide (CID 25102401) is 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1(CC2CC(c3ccccc3)=NO2)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is TVUJIOFNTHHEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-15-27-25(31)26(19-22-18-23(28-32-22)20-9-5-3-6-10-20)13-16-29(17-14-26)24(30)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3,(H,27,31).
What are the key properties of 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide?
1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 25102401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).