5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride

C26H28ClN5O2 — CID 69317675

IUPAC5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.N#Cc1[nH]c2ccccc2c1CCCCN1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1
InChIInChI=1S/C26H27N5O2.ClH/c27-17-23-21(20-5-1-2-7-22(20)29-23)6-3-4-10-30-11-13-31(14-12-30)19-8-9-24-18(15-19)16-25(33-24)26(28)32;/h1-2,5,7-9,15-16,29H,3-4,6,10-14H2,(H2,28,32);1H
InChIKeyHNZSSZUKLSCBQM-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.45
Rot. Bonds7

About 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride

5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 69317675) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID69317675
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.N#Cc1[nH]c2ccccc2c1CCCCN1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1
InChIInChI=1S/C26H27N5O2.ClH/c27-17-23-21(20-5-1-2-7-22(20)29-23)6-3-4-10-30-11-13-31(14-12-30)19-8-9-24-18(15-19)16-25(33-24)26(28)32;/h1-2,5,7-9,15-16,29H,3-4,6,10-14H2,(H2,28,32);1H
InChIKeyHNZSSZUKLSCBQM-UHFFFAOYSA-N
XLogP4.45
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride with MolForge

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Related Compounds

5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfuric acid
CID 73389306
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 69419961
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 69419842
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide
CID 10163876
N-benzoyl-5-[4-[4-(1-benzoyl-5-cyanoindol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092267
N-(2-amino-3-methylbutanoyl)-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092304
N-carbamoyl-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-propyl-1-benzofuran-2-carboxamide
CID 141411660
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 69419133
ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)-4-hydroxybutyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CID 145173297
[5-[4-[4-[1-(2-amino-3-methylbutanoyl)-5-cyanoindol-3-yl]butyl]piperazin-1-yl]-1-benzofuran-2-carbonyl]carbamic acid
CID 71092275
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 69419179

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride (CID 69317675) is 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride is Cl.N#Cc1[nH]c2ccccc2c1CCCCN1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1.
What is the InChIKey of 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is HNZSSZUKLSCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.ClH/c27-17-23-21(20-5-1-2-7-22(20)29-23)6-3-4-10-30-11-13-31(14-12-30)19-8-9-24-18(15-19)16-25(33-24)26(28)32;/h1-2,5,7-9,15-16,29H,3-4,6,10-14H2,(H2,28,32);1H.
What are the key properties of 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride?
5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 478.00 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 69317675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).