1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide

C25H26N4O2 — CID 45217335

IUPAC1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CCCN(Cc3cc4ccccc4o3)C2)cc1
InChIInChI=1S/C25H26N4O2/c1-18-26-12-14-29(18)22-10-8-21(9-11-22)27-25(30)20-6-4-13-28(16-20)17-23-15-19-5-2-3-7-24(19)31-23/h2-3,5,7-12,14-15,20H,4,6,13,16-17H2,1H3,(H,27,30)
InChIKeyJEHUPEDYXRCRIN-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.78
Rot. Bonds5

About 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide

1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 45217335) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID45217335
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CCCN(Cc3cc4ccccc4o3)C2)cc1
InChIInChI=1S/C25H26N4O2/c1-18-26-12-14-29(18)22-10-8-21(9-11-22)27-25(30)20-6-4-13-28(16-20)17-23-15-19-5-2-3-7-24(19)31-23/h2-3,5,7-12,14-15,20H,4,6,13,16-17H2,1H3,(H,27,30)
InChIKeyJEHUPEDYXRCRIN-UHFFFAOYSA-N
XLogP4.78
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 24790225
1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45214258
N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35532104
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-(2-oxochromen-3-yl)piperidine-3-carboxamide
CID 121103913
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-(4-acetamidophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930027
1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 46405367
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-(4-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929907
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide (CID 45217335) is 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2CCCN(Cc3cc4ccccc4o3)C2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is JEHUPEDYXRCRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-26-12-14-29(18)22-10-8-21(9-11-22)27-25(30)20-6-4-13-28(16-20)17-23-15-19-5-2-3-7-24(19)31-23/h2-3,5,7-12,14-15,20H,4,6,13,16-17H2,1H3,(H,27,30).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide?
1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45217335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).