N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C23H30N4O2 — CID 38115074

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C23H30N4O2/c28-23(24-14-11-18-7-3-1-4-8-18)20-12-15-27(16-13-20)17-21-25-22(26-29-21)19-9-5-2-6-10-19/h2,5-7,9-10,20H,1,3-4,8,11-17H2,(H,24,28)
InChIKeyVOKSZCJGHRRWMR-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.96
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 38115074) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID38115074
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C23H30N4O2/c28-23(24-14-11-18-7-3-1-4-8-18)20-12-15-27(16-13-20)17-21-25-22(26-29-21)19-9-5-2-6-10-19/h2,5-7,9-10,20H,1,3-4,8,11-17H2,(H,24,28)
InChIKeyVOKSZCJGHRRWMR-UHFFFAOYSA-N
XLogP3.96
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
CID 43934174
N-[3-(azepan-1-yl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115484
N-(2-methoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 33083256
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38116128
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115999
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
N-[(4-methylphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114940
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762171
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135844
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
N-(2-methylcyclohexyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857733

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 38115074) is N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VOKSZCJGHRRWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-23(24-14-11-18-7-3-1-4-8-18)20-12-15-27(16-13-20)17-21-25-22(26-29-21)19-9-5-2-6-10-19/h2,5-7,9-10,20H,1,3-4,8,11-17H2,(H,24,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38115074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).