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

C30H35FN4O3 — CID 46916812

IUPAC4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1noc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(C4CCCCC4)CC3)cc2)n1
InChIInChI=1S/C30H35FN4O3/c1-20(22-12-14-26(31)15-13-22)32-29(37)30(25-6-4-3-5-7-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)34-38-27/h8-15,20,25H,3-7,16-19H2,1-2H3,(H,32,37)/t20-/m0/s1
InChIKeyRYQBRCFREUALAD-FQEVSTJZSA-N
MW518.63 g/mol
LogP5.86
Rot. Bonds6

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

4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 46916812) has the molecular formula C30H35FN4O3 and a molecular weight of 518.63 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
PubChem CID46916812
Molecular FormulaC30H35FN4O3
Molecular Weight518.63 g/mol
Exact Mass518.27
IUPAC Name4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1noc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(C4CCCCC4)CC3)cc2)n1
InChIInChI=1S/C30H35FN4O3/c1-20(22-12-14-26(31)15-13-22)32-29(37)30(25-6-4-3-5-7-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)34-38-27/h8-15,20,25H,3-7,16-19H2,1-2H3,(H,32,37)/t20-/m0/s1
InChIKeyRYQBRCFREUALAD-FQEVSTJZSA-N
XLogP5.86
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.63
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide (CID 46916812) is 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide is Cc1noc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(C4CCCCC4)CC3)cc2)n1.
What is the InChIKey of 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is RYQBRCFREUALAD-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H35FN4O3/c1-20(22-12-14-26(31)15-13-22)32-29(37)30(25-6-4-3-5-7-25)16-18-35(19-17-30)28(36)24-10-8-23(9-11-24)27-33-21(2)34-38-27/h8-15,20,25H,3-7,16-19H2,1-2H3,(H,32,37)/t20-/m0/s1.
What are the key properties of 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 518.63 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 46916812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).