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

C21H21BrN4O2 — CID 53166857

IUPACN-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H21BrN4O2/c22-18-8-6-15(7-9-18)14-23-19(27)16-10-12-26(13-11-16)21-25-24-20(28-21)17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,23,27)
InChIKeyMSPFBXKPMSGELA-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.03
Rot. Bonds5

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

N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 53166857) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
PubChem CID53166857
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC NameN-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H21BrN4O2/c22-18-8-6-15(7-9-18)14-23-19(27)16-10-12-26(13-11-16)21-25-24-20(28-21)17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,23,27)
InChIKeyMSPFBXKPMSGELA-UHFFFAOYSA-N
XLogP4.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166866
N-(oxolan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 83278502
N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110642272
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 53167001
N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166959
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166999
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 83275073
N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (CID 53166857) is N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is O=C(NCc1ccc(Br)cc1)C1CCN(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is MSPFBXKPMSGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c22-18-8-6-15(7-9-18)14-23-19(27)16-10-12-26(13-11-16)21-25-24-20(28-21)17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,23,27).
What are the key properties of N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53166857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).