[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone

C24H30N4O — CID 42808876

IUPAC[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3cc(N)ccc3n2Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C24H30N4O/c1-4-26-9-11-27(12-10-26)24(29)23-15-19-14-21(25)7-8-22(19)28(23)16-20-13-17(2)5-6-18(20)3/h5-8,13-15H,4,9-12,16,25H2,1-3H3
InChIKeyBNNUVWDQZWPXJF-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.67
Rot. Bonds4

About [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone

[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42808876) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID42808876
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3cc(N)ccc3n2Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C24H30N4O/c1-4-26-9-11-27(12-10-26)24(29)23-15-19-14-21(25)7-8-22(19)28(23)16-20-13-17(2)5-6-18(20)3/h5-8,13-15H,4,9-12,16,25H2,1-3H3
InChIKeyBNNUVWDQZWPXJF-UHFFFAOYSA-N
XLogP3.67
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.67
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-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42669611
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791146
4-[4-[(2,5-dimethylphenyl)methyl]piperazine-1-carbonyl]benzamide
CID 167850936
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]acetamide
CID 91635112
4-tert-butyl-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]benzenesulfonamide
CID 83278214
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
[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-fluorophenyl)methyl]indol-5-yl]propanamide
CID 83282151

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone (CID 42808876) is [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc3cc(N)ccc3n2Cc2cc(C)ccc2C)CC1.
What is the InChIKey of [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is BNNUVWDQZWPXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-4-26-9-11-27(12-10-26)24(29)23-15-19-14-21(25)7-8-22(19)28(23)16-20-13-17(2)5-6-18(20)3/h5-8,13-15H,4,9-12,16,25H2,1-3H3.
What are the key properties of [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone?
[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 390.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42808876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).