N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide

C30H33FN4O3 — CID 89018809

IUPACN-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
SMILESC=C(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1)C1CCCCC1
InChIInChI=1S/C30H33FN4O3/c1-20(22-6-4-3-5-7-22)32-29(37)30(25-12-14-26(31)15-13-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)34-38-27/h8-15,22H,1,3-7,16-19H2,2H3,(H,32,37)
InChIKeyDACXNFRSUOCFMR-UHFFFAOYSA-N
MW516.62 g/mol
LogP5.57
Rot. Bonds6

About N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide

N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 89018809) has the molecular formula C30H33FN4O3 and a molecular weight of 516.62 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
PubChem CID89018809
Molecular FormulaC30H33FN4O3
Molecular Weight516.62 g/mol
Exact Mass516.25
IUPAC NameN-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
SMILESC=C(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1)C1CCCCC1
InChIInChI=1S/C30H33FN4O3/c1-20(22-6-4-3-5-7-22)32-29(37)30(25-12-14-26(31)15-13-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)34-38-27/h8-15,22H,1,3-7,16-19H2,2H3,(H,32,37)
InChIKeyDACXNFRSUOCFMR-UHFFFAOYSA-N
XLogP5.57
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 59527840
4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 59527906
N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527752
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 33028744
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50828722
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47048690
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39581438
4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 91395478
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 110886981
ethyl 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-4-carboxylate
CID 50828615

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide (CID 89018809) is N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide is C=C(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is DACXNFRSUOCFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O3/c1-20(22-6-4-3-5-7-22)32-29(37)30(25-12-14-26(31)15-13-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)34-38-27/h8-15,22H,1,3-7,16-19H2,2H3,(H,32,37).
What are the key properties of N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethenyl)-4-(4-fluorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 89018809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).