N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C21H22N4O2 — CID 3983937

IUPACN-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(22-15-16-7-3-1-4-8-16)25-13-11-18(12-14-25)20-23-19(24-27-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26)
InChIKeySDRSVDPIHNWPEP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.83
Rot. Bonds4

About N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 3983937) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID3983937
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(22-15-16-7-3-1-4-8-16)25-13-11-18(12-14-25)20-23-19(24-27-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26)
InChIKeySDRSVDPIHNWPEP-UHFFFAOYSA-N
XLogP3.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-Trifluoro-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
CID 56945951
4-[3-(Naphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
CID 62715191
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 665654
4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271599
N-cyclopentyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1945989
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9266827
Cyclohexyl-{3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 649787
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
N-(2-phenylcyclopropyl)-4-(3-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45269104
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
4-(3-Benzhydryl-1,2,4-oxadiazol-5-yl)piperidine
CID 2761148

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 3983937) is N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is SDRSVDPIHNWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(22-15-16-7-3-1-4-8-16)25-13-11-18(12-14-25)20-23-19(24-27-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26).
What are the key properties of N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3983937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).