6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide

C22H21N3O2 — CID 164889337

IUPAC6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)oc3c2)cc1
InChIInChI=1S/C22H21N3O2/c23-13-15-1-3-17(4-2-15)18-5-6-19-12-21(27-20(19)11-18)22(26)25-14-16-7-9-24-10-8-16/h1-6,11-12,16,24H,7-10,14H2,(H,25,26)
InChIKeyMAPNYRHUMUHTMN-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.70
Rot. Bonds4

About 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide

6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 164889337) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID164889337
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)oc3c2)cc1
InChIInChI=1S/C22H21N3O2/c23-13-15-1-3-17(4-2-15)18-5-6-19-12-21(27-20(19)11-18)22(26)25-14-16-7-9-24-10-8-16/h1-6,11-12,16,24H,7-10,14H2,(H,25,26)
InChIKeyMAPNYRHUMUHTMN-UHFFFAOYSA-N
XLogP3.70
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 164889337) is 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide is N#Cc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)oc3c2)cc1.
What is the InChIKey of 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MAPNYRHUMUHTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-13-15-1-3-17(4-2-15)18-5-6-19-12-21(27-20(19)11-18)22(26)25-14-16-7-9-24-10-8-16/h1-6,11-12,16,24H,7-10,14H2,(H,25,26).
What are the key properties of 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 164889337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).