N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide

C22H32N4O4 — CID 86903873

IUPACN-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1
InChIInChI=1S/C22H32N4O4/c1-3-4-12-24(2)21(28)18-10-13-25(14-11-18)15-19(27)16-26-20(23-30-22(26)29)17-8-6-5-7-9-17/h5-9,18-19,27H,3-4,10-16H2,1-2H3
InChIKeyWUBRQOYDXNYSNO-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.83
Rot. Bonds9

About N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide (PubChem CID 86903873) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide
PubChem CID86903873
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1
InChIInChI=1S/C22H32N4O4/c1-3-4-12-24(2)21(28)18-10-13-25(14-11-18)15-19(27)16-26-20(23-30-22(26)29)17-8-6-5-7-9-17/h5-9,18-19,27H,3-4,10-16H2,1-2H3
InChIKeyWUBRQOYDXNYSNO-UHFFFAOYSA-N
XLogP1.83
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

4-[3-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903928
4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 95149826
4-[2-hydroxy-3-(2-methylmorpholin-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111104453
N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide
CID 86903893
N-butyl-1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 78905455
N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195
4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903781
4-[3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903923
4-[3-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111930101
4-[3-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903950
4-[3-(3,5-dimethylmorpholin-4-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111452484
4-[2-hydroxy-3-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 75512218

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide (CID 86903873) is N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1.
What is the InChIKey of N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is WUBRQOYDXNYSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-3-4-12-24(2)21(28)18-10-13-25(14-11-18)15-19(27)16-26-20(23-30-22(26)29)17-8-6-5-7-9-17/h5-9,18-19,27H,3-4,10-16H2,1-2H3.
What are the key properties of N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 86903873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).