[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone

C21H23N3O — CID 174436559

IUPAC[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C21H23N3O/c25-21(18-5-2-1-3-6-18)24-15-13-23(14-16-24)12-10-17-7-4-8-20-19(17)9-11-22-20/h1-9,11,22H,10,12-16H2
InChIKeyGJXNNOUDKAXCFA-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.17
Rot. Bonds4

About [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone

[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone (PubChem CID 174436559) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone
PubChem CID174436559
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C21H23N3O/c25-21(18-5-2-1-3-6-18)24-15-13-23(14-16-24)12-10-17-7-4-8-20-19(17)9-11-22-20/h1-9,11,22H,10,12-16H2
InChIKeyGJXNNOUDKAXCFA-UHFFFAOYSA-N
XLogP3.17
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride
CID 162310957
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
(3-ethoxyphenyl)-[4-[2-(1H-indol-3-yl)ethyl]-1,4-diazepan-1-yl]methanone;formic acid
CID 154914291
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
2-amino-4-(1H-indol-4-yl)butanoic acid
CID 69406659
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone (CID 174436559) is [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(CCc2cccc3[nH]ccc23)CC1.
What is the InChIKey of [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is GJXNNOUDKAXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(18-5-2-1-3-6-18)24-15-13-23(14-16-24)12-10-17-7-4-8-20-19(17)9-11-22-20/h1-9,11,22H,10,12-16H2.
What are the key properties of [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone?
[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 333.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 174436559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).