(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone

C22H26N4O — CID 42806101

IUPAC(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3cc(N)ccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c1-2-24-10-12-25(13-11-24)22(27)21-15-18-14-19(23)8-9-20(18)26(21)16-17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16,23H2,1H3
InChIKeyIRYQCEZXQOXRIQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.05
Rot. Bonds4

About (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone

(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42806101) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID42806101
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3cc(N)ccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c1-2-24-10-12-25(13-11-24)22(27)21-15-18-14-19(23)8-9-20(18)26(21)16-17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16,23H2,1H3
InChIKeyIRYQCEZXQOXRIQ-UHFFFAOYSA-N
XLogP3.05
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42808876
(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42669611
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide
CID 91635112
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide
CID 83282151
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 155568608
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide
CID 83287207
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
CID 91635115
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55923290
4-tert-butyl-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]benzenesulfonamide
CID 83278214
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone (CID 42806101) is (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc3cc(N)ccc3n2Cc2ccccc2)CC1.
What is the InChIKey of (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is IRYQCEZXQOXRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-24-10-12-25(13-11-24)22(27)21-15-18-14-19(23)8-9-20(18)26(21)16-17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16,23H2,1H3.
What are the key properties of (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 362.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42806101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).