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

C24H28N4O2 — CID 43930308

IUPAC1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(-c2noc(CN3CCCC(C(=O)NCCc4ccccc4)C3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-18-9-11-20(12-10-18)23-26-22(30-27-23)17-28-15-5-8-21(16-28)24(29)25-14-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,25,29)
InChIKeyUUBQFHKKONQEMQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.62
Rot. Bonds7

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

1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 43930308) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID43930308
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(-c2noc(CN3CCCC(C(=O)NCCc4ccccc4)C3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-18-9-11-20(12-10-18)23-26-22(30-27-23)17-28-15-5-8-21(16-28)24(29)25-14-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,25,29)
InChIKeyUUBQFHKKONQEMQ-UHFFFAOYSA-N
XLogP3.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylsulfanylethyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930359
N-[2-(4-methylphenyl)sulfanylethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929086
N-[3-(4-methoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930545
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929100
N-(2-tert-butylsulfanylethyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930412
N-[2-(2-chlorophenoxy)ethyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930711
N-[3-[(4-methylphenyl)methylsulfanyl]propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930634
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930563
(3S)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028331
(3R)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028332
N-[3-(3-methoxyphenyl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929273

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 43930308) is 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1ccc(-c2noc(CN3CCCC(C(=O)NCCc4ccccc4)C3)n2)cc1.
What is the InChIKey of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is UUBQFHKKONQEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-9-11-20(12-10-18)23-26-22(30-27-23)17-28-15-5-8-21(16-28)24(29)25-14-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,25,29).
What are the key properties of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43930308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).