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

C29H29FN4O2 — CID 43927863

IUPAC1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccc(C(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c2ccccc2)c1
InChIInChI=1S/C29H29FN4O2/c1-20-6-5-9-24(18-20)27(21-7-3-2-4-8-21)32-29(35)23-14-16-34(17-15-23)19-26-31-28(33-36-26)22-10-12-25(30)13-11-22/h2-13,18,23,27H,14-17,19H2,1H3,(H,32,35)
InChIKeyOHDGTQCZNBFXMX-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.30
Rot. Bonds7

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

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 43927863) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID43927863
Molecular FormulaC29H29FN4O2
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccc(C(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c2ccccc2)c1
InChIInChI=1S/C29H29FN4O2/c1-20-6-5-9-24(18-20)27(21-7-3-2-4-8-21)32-29(35)23-14-16-34(17-15-23)19-26-31-28(33-36-26)22-10-12-25(30)13-11-22/h2-13,18,23,27H,14-17,19H2,1H3,(H,32,35)
InChIKeyOHDGTQCZNBFXMX-UHFFFAOYSA-N
XLogP5.30
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43926889
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931829
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931828
N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927818
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
CID 43927879
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43928504
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43927808
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 43931523
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43929819
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43934003

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide (CID 43927863) is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide is Cc1cccc(C(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c2ccccc2)c1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is OHDGTQCZNBFXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2/c1-20-6-5-9-24(18-20)27(21-7-3-2-4-8-21)32-29(35)23-14-16-34(17-15-23)19-26-31-28(33-36-26)22-10-12-25(30)13-11-22/h2-13,18,23,27H,14-17,19H2,1H3,(H,32,35).
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide?
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).