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

C26H28ClN5O2 — CID 67301217

IUPAC5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.N#Cc1ccc2[nH]cc(CCCCN3CCNCC3c3ccc4oc(C(N)=O)cc4c3)c2c1
InChIInChI=1S/C26H27N5O2.ClH/c27-14-17-4-6-22-21(11-17)19(15-30-22)3-1-2-9-31-10-8-29-16-23(31)18-5-7-24-20(12-18)13-25(33-24)26(28)32;/h4-7,11-13,15,23,29-30H,1-3,8-10,16H2,(H2,28,32);1H
InChIKeyDDIXGYIYPXMXDQ-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.28
Rot. Bonds7

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

5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 67301217) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID67301217
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.N#Cc1ccc2[nH]cc(CCCCN3CCNCC3c3ccc4oc(C(N)=O)cc4c3)c2c1
InChIInChI=1S/C26H27N5O2.ClH/c27-14-17-4-6-22-21(11-17)19(15-30-22)3-1-2-9-31-10-8-29-16-23(31)18-5-7-24-20(12-18)13-25(33-24)26(28)32;/h4-7,11-13,15,23,29-30H,1-3,8-10,16H2,(H2,28,32);1H
InChIKeyDDIXGYIYPXMXDQ-UHFFFAOYSA-N
XLogP4.28
TPSA111.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

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-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide
CID 69143814
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide
CID 10163876
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-(cyclopropanecarbonyl)-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 71092334
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-phenylethyl)-1-benzofuran-2-carboxamide
CID 69419961
N-(2-amino-3-methylbutanoyl)-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092304
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 69419133
3-[4-[4-(2-oxochromen-7-yl)oxypiperidin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 11224490
3-[4-[4-(2-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;oxamide;hydrochloride
CID 141371465

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride (CID 67301217) is 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride is Cl.N#Cc1ccc2[nH]cc(CCCCN3CCNCC3c3ccc4oc(C(N)=O)cc4c3)c2c1.
What is the InChIKey of 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is DDIXGYIYPXMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.ClH/c27-14-17-4-6-22-21(11-17)19(15-30-22)3-1-2-9-31-10-8-29-16-23(31)18-5-7-24-20(12-18)13-25(33-24)26(28)32;/h4-7,11-13,15,23,29-30H,1-3,8-10,16H2,(H2,28,32);1H.
What are the key properties of 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride?
5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 478.00 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 67301217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).