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

C26H28N6O2 — CID 43929325

IUPACN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1nccn1-c1ccccc1CNC(=O)C1CCCN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C26H28N6O2/c1-19-27-13-15-32(19)23-12-6-5-10-21(23)16-28-26(33)22-11-7-14-31(17-22)18-24-29-25(30-34-24)20-8-3-2-4-9-20/h2-6,8-10,12-13,15,22H,7,11,14,16-18H2,1H3,(H,28,33)
InChIKeyZOFQWHUBVYSKKZ-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.76
Rot. Bonds7

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

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43929325) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43929325
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1nccn1-c1ccccc1CNC(=O)C1CCCN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C26H28N6O2/c1-19-27-13-15-32(19)23-12-6-5-10-21(23)16-28-26(33)22-11-7-14-31(17-22)18-24-29-25(30-34-24)20-8-3-2-4-9-20/h2-6,8-10,12-13,15,22H,7,11,14,16-18H2,1H3,(H,28,33)
InChIKeyZOFQWHUBVYSKKZ-UHFFFAOYSA-N
XLogP3.76
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 43933510
N-[(2-methylphenyl)methyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929942
(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
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 43933934
N-[2-(4-methylphenyl)sulfanylethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929086
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43933081
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 43929323
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 43930308
(3S)-1-(benzenesulfonyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 100659789
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 43931605

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43929325) is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1nccn1-c1ccccc1CNC(=O)C1CCCN(Cc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ZOFQWHUBVYSKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-19-27-13-15-32(19)23-12-6-5-10-21(23)16-28-26(33)22-11-7-14-31(17-22)18-24-29-25(30-34-24)20-8-3-2-4-9-20/h2-6,8-10,12-13,15,22H,7,11,14,16-18H2,1H3,(H,28,33).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).