1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C22H26N4O — CID 113078739

IUPAC1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCN(C)c1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-24(2)18-7-9-19(10-8-18)25-11-13-26(14-12-25)22(27)15-17-16-23-21-6-4-3-5-20(17)21/h3-10,16,23H,11-15H2,1-2H3
InChIKeyMJWYAUZGRVZFHV-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 113078739) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID113078739
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCN(C)c1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-24(2)18-7-9-19(10-8-18)25-11-13-26(14-12-25)22(27)15-17-16-23-21-6-4-3-5-20(17)21/h3-10,16,23H,11-15H2,1-2H3
InChIKeyMJWYAUZGRVZFHV-UHFFFAOYSA-N
XLogP3.13
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113076853
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 47083014
2-chloro-4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]benzonitrile
CID 133297628
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002111
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone
CID 55810442
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
2-(1H-indol-3-yl)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121053812
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 113078739) is 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is CN(C)c1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is MJWYAUZGRVZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-24(2)18-7-9-19(10-8-18)25-11-13-26(14-12-25)22(27)15-17-16-23-21-6-4-3-5-20(17)21/h3-10,16,23H,11-15H2,1-2H3.
What are the key properties of 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 362.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 113078739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).