2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

C21H30N4O3 — CID 120798614

IUPAC2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C1CCOCC1
InChIInChI=1S/C21H30N4O3/c22-20(17-6-13-28-14-7-17)21(27)24-11-9-23(10-12-24)15-19(26)25-8-5-16-3-1-2-4-18(16)25/h1-4,17,20H,5-15,22H2
InChIKeyCKLUGPPTYNIVAQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.47
Rot. Bonds4

About 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120798614) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120798614
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C1CCOCC1
InChIInChI=1S/C21H30N4O3/c22-20(17-6-13-28-14-7-17)21(27)24-11-9-23(10-12-24)15-19(26)25-8-5-16-3-1-2-4-18(16)25/h1-4,17,20H,5-15,22H2
InChIKeyCKLUGPPTYNIVAQ-UHFFFAOYSA-N
XLogP0.47
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-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

(2S)-2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119857356
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
CID 120669812
2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528
2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432875
2-amino-1-(4-benzyl-1,4-diazepan-1-yl)-2-(oxan-4-yl)ethanone
CID 120782467
1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119857339
2-amino-2-(oxan-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 120801574
2-amino-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797085
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800060
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771
2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 47058306
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone (CID 120798614) is 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone is NC(C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is CKLUGPPTYNIVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c22-20(17-6-13-28-14-7-17)21(27)24-11-9-23(10-12-24)15-19(26)25-8-5-16-3-1-2-4-18(16)25/h1-4,17,20H,5-15,22H2.
What are the key properties of 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 386.50 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120798614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).