3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one

C23H25N3O2 — CID 110398604

IUPAC3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C23H25N3O2/c27-22(18-6-2-1-3-7-18)10-11-25-12-14-26(15-13-25)23(28)16-19-17-24-21-9-5-4-8-20(19)21/h1-9,17,24H,10-16H2
InChIKeyUMHVXWKUVOKNLO-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.13
Rot. Bonds6

About 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one

3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one (PubChem CID 110398604) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
PubChem CID110398604
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C23H25N3O2/c27-22(18-6-2-1-3-7-18)10-11-25-12-14-26(15-13-25)23(28)16-19-17-24-21-9-5-4-8-20(19)21/h1-9,17,24H,10-16H2
InChIKeyUMHVXWKUVOKNLO-UHFFFAOYSA-N
XLogP3.13
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 55923111
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658473
N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 51263125
2-(1H-indol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 31328068
2-(1H-indol-3-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone
CID 56789126
1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 90561493
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one (CID 110398604) is 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one is O=C(CCN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1.
What is the InChIKey of 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one?
The InChIKey is UMHVXWKUVOKNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(18-6-2-1-3-7-18)10-11-25-12-14-26(15-13-25)23(28)16-19-17-24-21-9-5-4-8-20(19)21/h1-9,17,24H,10-16H2.
What are the key properties of 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one?
3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one has a molecular weight of 375.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 110398604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).