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

C23H26N4O2 — CID 53278503

IUPAC1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-7-9-18(10-8-17)16-27-13-11-20(12-14-27)23(28)24-15-21-25-22(26-29-21)19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,24,28)
InChIKeyVNGKADAJHVZAQA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.57
Rot. Bonds6

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

1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 53278503) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID53278503
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-7-9-18(10-8-17)16-27-13-11-20(12-14-27)23(28)24-15-21-25-22(26-29-21)19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,24,28)
InChIKeyVNGKADAJHVZAQA-UHFFFAOYSA-N
XLogP3.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53278515
N-[(4-methylphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114940
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143303
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115999
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 38143900
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
N-benzyl-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143586
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 46857738
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
1-(6-methylpyridazin-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121119074
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 53278503) is 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VNGKADAJHVZAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-7-9-18(10-8-17)16-27-13-11-20(12-14-27)23(28)24-15-21-25-22(26-29-21)19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,24,28).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53278503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).