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

C28H36N4O2 — CID 43926898

IUPAC1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide
SMILESCc1cccc(-c2noc(CN3CCC(C(=O)NC(C)CC(C)(C)c4ccccc4)CC3)n2)c1
InChIInChI=1S/C28H36N4O2/c1-20-9-8-10-23(17-20)26-30-25(34-31-26)19-32-15-13-22(14-16-32)27(33)29-21(2)18-28(3,4)24-11-6-5-7-12-24/h5-12,17,21-22H,13-16,18-19H2,1-4H3,(H,29,33)
InChIKeyKBOVQGRPKOLZLH-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.13
Rot. Bonds8

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

1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide (PubChem CID 43926898) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide
PubChem CID43926898
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide
SMILESCc1cccc(-c2noc(CN3CCC(C(=O)NC(C)CC(C)(C)c4ccccc4)CC3)n2)c1
InChIInChI=1S/C28H36N4O2/c1-20-9-8-10-23(17-20)26-30-25(34-31-26)19-32-15-13-22(14-16-32)27(33)29-21(2)18-28(3,4)24-11-6-5-7-12-24/h5-12,17,21-22H,13-16,18-19H2,1-4H3,(H,29,33)
InChIKeyKBOVQGRPKOLZLH-UHFFFAOYSA-N
XLogP5.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43926889
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 38139465
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
N-[(2-methylphenyl)methyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38139803
N-methyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 24595481
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43927036
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 38139651
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904127
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926885
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-tert-butylphenyl)ethyl]piperidine-4-carboxamide
CID 43927233
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43927863

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide (CID 43926898) is 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide is Cc1cccc(-c2noc(CN3CCC(C(=O)NC(C)CC(C)(C)c4ccccc4)CC3)n2)c1.
What is the InChIKey of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide?
The InChIKey is KBOVQGRPKOLZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-20-9-8-10-23(17-20)26-30-25(34-31-26)19-32-15-13-22(14-16-32)27(33)29-21(2)18-28(3,4)24-11-6-5-7-12-24/h5-12,17,21-22H,13-16,18-19H2,1-4H3,(H,29,33).
What are the key properties of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide?
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-4-phenylpentan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43926898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).