1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone

C21H27N3O3 — CID 110611350

IUPAC1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)CC2CCCCO2)CC1
InChIInChI=1S/C21H27N3O3/c25-20(13-16-15-22-19-7-2-1-6-18(16)19)23-8-10-24(11-9-23)21(26)14-17-5-3-4-12-27-17/h1-2,6-7,15,17,22H,3-5,8-14H2
InChIKeyAHYXQCSRWPEZNB-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.34
Rot. Bonds4

About 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone

1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 110611350) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID110611350
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)CC2CCCCO2)CC1
InChIInChI=1S/C21H27N3O3/c25-20(13-16-15-22-19-7-2-1-6-18(16)19)23-8-10-24(11-9-23)21(26)14-17-5-3-4-12-27-17/h1-2,6-7,15,17,22H,3-5,8-14H2
InChIKeyAHYXQCSRWPEZNB-UHFFFAOYSA-N
XLogP2.34
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-[(1S,3R)-3-aminocyclohexyl]-1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 167807322
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone
CID 56789126
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone (CID 110611350) is 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)CC2CCCCO2)CC1.
What is the InChIKey of 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is AHYXQCSRWPEZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-20(13-16-15-22-19-7-2-1-6-18(16)19)23-8-10-24(11-9-23)21(26)14-17-5-3-4-12-27-17/h1-2,6-7,15,17,22H,3-5,8-14H2.
What are the key properties of 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 369.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 110611350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).