2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone

C24H25N3O2 — CID 98958441

IUPAC2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(17-27-11-10-19-8-4-5-9-22(19)27)25-12-14-26(15-13-25)24(29)21-16-20(21)18-6-2-1-3-7-18/h1-11,20-21H,12-17H2/t20-,21+/m1/s1
InChIKeyDMVNKAAGUVZOIU-RTWAWAEBSA-N
MW387.48 g/mol
LogP3.12
Rot. Bonds4

About 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone

2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 98958441) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID98958441
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(17-27-11-10-19-8-4-5-9-22(19)27)25-12-14-26(15-13-25)24(29)21-16-20(21)18-6-2-1-3-7-18/h1-11,20-21H,12-17H2/t20-,21+/m1/s1
InChIKeyDMVNKAAGUVZOIU-RTWAWAEBSA-N
XLogP3.12
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone 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

2-indol-1-yl-1-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958440
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896738
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
2-indol-1-yl-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 39315127
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248
2-(4-hydroxyphenyl)sulfanyl-1-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164556692
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 74249344

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 98958441) is 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone is O=C(Cn1ccc2ccccc21)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is DMVNKAAGUVZOIU-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(17-27-11-10-19-8-4-5-9-22(19)27)25-12-14-26(15-13-25)24(29)21-16-20(21)18-6-2-1-3-7-18/h1-11,20-21H,12-17H2/t20-,21+/m1/s1.
What are the key properties of 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 387.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 98958441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).