5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide

C22H22N4O — CID 164610616

IUPAC5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(-c2ccc3[nH]c(C(=O)NCC4CCNCC4)cc3c2)cc1
InChIInChI=1S/C22H22N4O/c23-13-15-1-3-17(4-2-15)18-5-6-20-19(11-18)12-21(26-20)22(27)25-14-16-7-9-24-10-8-16/h1-6,11-12,16,24,26H,7-10,14H2,(H,25,27)
InChIKeyUYBLEIMZCPYXJW-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.44
Rot. Bonds4

About 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide

5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 164610616) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID164610616
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(-c2ccc3[nH]c(C(=O)NCC4CCNCC4)cc3c2)cc1
InChIInChI=1S/C22H22N4O/c23-13-15-1-3-17(4-2-15)18-5-6-20-19(11-18)12-21(26-20)22(27)25-14-16-7-9-24-10-8-16/h1-6,11-12,16,24,26H,7-10,14H2,(H,25,27)
InChIKeyUYBLEIMZCPYXJW-UHFFFAOYSA-N
XLogP3.44
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide (CID 164610616) is 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide is N#Cc1ccc(-c2ccc3[nH]c(C(=O)NCC4CCNCC4)cc3c2)cc1.
What is the InChIKey of 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is UYBLEIMZCPYXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-13-15-1-3-17(4-2-15)18-5-6-20-19(11-18)12-21(26-20)22(27)25-14-16-7-9-24-10-8-16/h1-6,11-12,16,24,26H,7-10,14H2,(H,25,27).
What are the key properties of 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 164610616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).