(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone

C23H27N3O2 — CID 59016065

IUPAC(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cn(Cc3ccccc3)c3c(OC)cccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-3-24-12-14-25(15-13-24)23(27)20-17-26(16-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-2/h4-11,17H,3,12-16H2,1-2H3
InChIKeyVUMDEFASFOCYQN-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds5

About (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone

(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 59016065) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID59016065
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cn(Cc3ccccc3)c3c(OC)cccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-3-24-12-14-25(15-13-24)23(27)20-17-26(16-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-2/h4-11,17H,3,12-16H2,1-2H3
InChIKeyVUMDEFASFOCYQN-UHFFFAOYSA-N
XLogP3.48
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59016067
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-2-methylphenyl)methanone
CID 136553249
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432983
(4-benzylpiperazin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone
CID 122174591
4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
CID 22549537
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone (CID 59016065) is (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cn(Cc3ccccc3)c3c(OC)cccc23)CC1.
What is the InChIKey of (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is VUMDEFASFOCYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-24-12-14-25(15-13-24)23(27)20-17-26(16-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-2/h4-11,17H,3,12-16H2,1-2H3.
What are the key properties of (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 59016065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).