N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide

C22H32N4O4 — CID 86903893

IUPACN-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(CC(O)Cn2c(-c3ccccc3)noc2=O)C1
InChIInChI=1S/C22H32N4O4/c1-3-4-12-23-21(28)18-11-10-16(2)25(13-18)14-19(27)15-26-20(24-30-22(26)29)17-8-6-5-7-9-17/h5-9,16,18-19,27H,3-4,10-15H2,1-2H3,(H,23,28)
InChIKeyLLBPOWVRYRRXRA-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.88
Rot. Bonds9

About N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide

N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide (PubChem CID 86903893) 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]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide
PubChem CID86903893
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]-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(CC(O)Cn2c(-c3ccccc3)noc2=O)C1
InChIInChI=1S/C22H32N4O4/c1-3-4-12-23-21(28)18-11-10-16(2)25(13-18)14-19(27)15-26-20(24-30-22(26)29)17-8-6-5-7-9-17/h5-9,16,18-19,27H,3-4,10-15H2,1-2H3,(H,23,28)
InChIKeyLLBPOWVRYRRXRA-UHFFFAOYSA-N
XLogP1.88
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(3,5-dimethylmorpholin-4-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111452484
N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-N-methylpiperidine-4-carboxamide
CID 86903873
N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide
CID 56550729
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
N-butyl-6-methyl-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-3-carboxamide
CID 86935196
4-[3-(4,5-dimethylimidazol-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111123300
(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 97314165
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444
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
(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 49152872
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide
CID 20791351

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]-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide (CID 86903893) is N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(CC(O)Cn2c(-c3ccccc3)noc2=O)C1.
What is the InChIKey of N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is LLBPOWVRYRRXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-3-4-12-23-21(28)18-11-10-16(2)25(13-18)14-19(27)15-26-20(24-30-22(26)29)17-8-6-5-7-9-17/h5-9,16,18-19,27H,3-4,10-15H2,1-2H3,(H,23,28).
What are the key properties of N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide?
N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 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]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 86903893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).