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

C29H33FN4O3 — CID 46916774

IUPAC4-cyclopentyl-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)(C4CCCC4)CC3)cc2)n1
InChIInChI=1S/C29H33FN4O3/c1-19(21-11-13-25(30)14-12-21)31-28(36)29(24-5-3-4-6-24)15-17-34(18-16-29)27(35)23-9-7-22(8-10-23)26-32-20(2)33-37-26/h7-14,19,24H,3-6,15-18H2,1-2H3,(H,31,36)/t19-/m0/s1
InChIKeyBKZFQOAOMIDBDT-IBGZPJMESA-N
MW504.61 g/mol
LogP5.47
Rot. Bonds6

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

4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 46916774) has the molecular formula C29H33FN4O3 and a molecular weight of 504.61 g/mol. Its IUPAC name is 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
PubChem CID46916774
Molecular FormulaC29H33FN4O3
Molecular Weight504.61 g/mol
Exact Mass504.25
IUPAC Name4-cyclopentyl-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)(C4CCCC4)CC3)cc2)n1
InChIInChI=1S/C29H33FN4O3/c1-19(21-11-13-25(30)14-12-21)31-28(36)29(24-5-3-4-6-24)15-17-34(18-16-29)27(35)23-9-7-22(8-10-23)26-32-20(2)33-37-26/h7-14,19,24H,3-6,15-18H2,1-2H3,(H,31,36)/t19-/m0/s1
InChIKeyBKZFQOAOMIDBDT-IBGZPJMESA-N
XLogP5.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-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-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide (CID 46916774) is 4-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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)(C4CCCC4)CC3)cc2)n1.
What is the InChIKey of 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BKZFQOAOMIDBDT-IBGZPJMESA-N. The full InChI is InChI=1S/C29H33FN4O3/c1-19(21-11-13-25(30)14-12-21)31-28(36)29(24-5-3-4-6-24)15-17-34(18-16-29)27(35)23-9-7-22(8-10-23)26-32-20(2)33-37-26/h7-14,19,24H,3-6,15-18H2,1-2H3,(H,31,36)/t19-/m0/s1.
What are the key properties of 4-cyclopentyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
4-cyclopentyl-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 504.61 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-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 46916774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).