1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

C31H33N3O5 — CID 24747818

IUPAC1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(CC3CC(c4ccccc4)=NO3)CCN(C(=O)c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C31H33N3O5/c1-38-26-12-10-22(11-13-26)21-32-30(37)31(20-27-19-28(33-39-27)23-6-3-2-4-7-23)14-16-34(17-15-31)29(36)24-8-5-9-25(35)18-24/h2-13,18,27,35H,14-17,19-21H2,1H3,(H,32,37)
InChIKeyKNHPVMWHQAXZOP-UHFFFAOYSA-N
MW527.62 g/mol
LogP4.52
Rot. Bonds8

About 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 24747818) has the molecular formula C31H33N3O5 and a molecular weight of 527.62 g/mol. Its IUPAC name is 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID24747818
Molecular FormulaC31H33N3O5
Molecular Weight527.62 g/mol
Exact Mass527.24
IUPAC Name1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(CC3CC(c4ccccc4)=NO3)CCN(C(=O)c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C31H33N3O5/c1-38-26-12-10-22(11-13-26)21-32-30(37)31(20-27-19-28(33-39-27)23-6-3-2-4-7-23)14-16-34(17-15-31)29(36)24-8-5-9-25(35)18-24/h2-13,18,27,35H,14-17,19-21H2,1H3,(H,32,37)
InChIKeyKNHPVMWHQAXZOP-UHFFFAOYSA-N
XLogP4.52
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 23641186
Tert-butyl 4-[(4-methoxyphenyl)methylcarbamoyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1-carboxylate
CID 23641180
N-[(4-methoxyphenyl)methyl]-1-(1-methylcyclopropanecarbonyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 23641184
1-[2-(4-fluorophenyl)acetyl]-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 23641185
1-(6-bromohexanoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 23723319
N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-4-carboxamide
CID 24747892
1-benzoyl-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 24747903
1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 24790416
[[2,6-Bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]amino] 3-hydroxybenzoate
CID 73350897
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide
CID 59652555
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide
CID 59652603
2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 42790198

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 24747818) is 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2(CC3CC(c4ccccc4)=NO3)CCN(C(=O)c3cccc(O)c3)CC2)cc1.
What is the InChIKey of 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KNHPVMWHQAXZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O5/c1-38-26-12-10-22(11-13-26)21-32-30(37)31(20-27-19-28(33-39-27)23-6-3-2-4-7-23)14-16-34(17-15-31)29(36)24-8-5-9-25(35)18-24/h2-13,18,27,35H,14-17,19-21H2,1H3,(H,32,37).
What are the key properties of 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 527.62 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24747818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).