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

C30H28F2N4O3 — CID 46916723

IUPAC4-(4-fluorophenyl)-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)(c4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C30H28F2N4O3/c1-19(21-7-11-25(31)12-8-21)33-29(38)30(24-9-13-26(32)14-10-24)15-17-36(18-16-30)28(37)23-5-3-22(4-6-23)27-34-20(2)35-39-27/h3-14,19H,15-18H2,1-2H3,(H,33,38)/t19-/m0/s1
InChIKeyPRRNIHGRCFRXFX-IBGZPJMESA-N
MW530.58 g/mol
LogP5.37
Rot. Bonds6

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

4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 46916723) has the molecular formula C30H28F2N4O3 and a molecular weight of 530.58 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide
PubChem CID46916723
Molecular FormulaC30H28F2N4O3
Molecular Weight530.58 g/mol
Exact Mass530.21
IUPAC Name4-(4-fluorophenyl)-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)(c4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C30H28F2N4O3/c1-19(21-7-11-25(31)12-8-21)33-29(38)30(24-9-13-26(32)14-10-24)15-17-36(18-16-30)28(37)23-5-3-22(4-6-23)27-34-20(2)35-39-27/h3-14,19H,15-18H2,1-2H3,(H,33,38)/t19-/m0/s1
InChIKeyPRRNIHGRCFRXFX-IBGZPJMESA-N
XLogP5.37
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-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-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide (CID 46916723) is 4-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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)(c4ccc(F)cc4)CC3)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is PRRNIHGRCFRXFX-IBGZPJMESA-N. The full InChI is InChI=1S/C30H28F2N4O3/c1-19(21-7-11-25(31)12-8-21)33-29(38)30(24-9-13-26(32)14-10-24)15-17-36(18-16-30)28(37)23-5-3-22(4-6-23)27-34-20(2)35-39-27/h3-14,19H,15-18H2,1-2H3,(H,33,38)/t19-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidine-4-carboxamide?
4-(4-fluorophenyl)-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 530.58 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-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 46916723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).