N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide

C24H29N5O — CID 18695482

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide
SMILESC=CCn1nc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H29N5O/c1-2-13-29-22-11-7-6-10-21(22)23(26-29)24(30)25-12-14-27-15-17-28(18-16-27)19-20-8-4-3-5-9-20/h2-11H,1,12-19H2,(H,25,30)
InChIKeyFHWIYGOCBKZWIW-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide (PubChem CID 18695482) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide
PubChem CID18695482
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide
SMILESC=CCn1nc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H29N5O/c1-2-13-29-22-11-7-6-10-21(22)23(26-29)24(30)25-12-14-27-15-17-28(18-16-27)19-20-8-4-3-5-9-20/h2-11H,1,12-19H2,(H,25,30)
InChIKeyFHWIYGOCBKZWIW-UHFFFAOYSA-N
XLogP2.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179909
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide
CID 15435295
N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70078243
N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethylamino]-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124546
1-but-3-enylindazole-3-carboxylic acid
CID 18695576
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70077964
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide (CID 18695482) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide is C=CCn1nc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide?
The InChIKey is FHWIYGOCBKZWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-13-29-22-11-7-6-10-21(22)23(26-29)24(30)25-12-14-27-15-17-28(18-16-27)19-20-8-4-3-5-9-20/h2-11H,1,12-19H2,(H,25,30).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide is sourced from PubChem (CID 18695482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).