1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone

C19H26N4O2 — CID 119857339

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(C1CCCN1)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C19H26N4O2/c24-18(23-9-7-15-4-1-2-6-17(15)23)14-21-10-12-22(13-11-21)19(25)16-5-3-8-20-16/h1-2,4,6,16,20H,3,5,7-14H2
InChIKeyYQQJZSFVDMNRLR-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.47
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 119857339) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID119857339
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(C1CCCN1)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C19H26N4O2/c24-18(23-9-7-15-4-1-2-6-17(15)23)14-21-10-12-22(13-11-21)19(25)16-5-3-8-20-16/h1-2,4,6,16,20H,3,5,7-14H2
InChIKeyYQQJZSFVDMNRLR-UHFFFAOYSA-N
XLogP0.47
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119857318
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-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 165433433
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798614

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone (CID 119857339) is 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone is O=C(C1CCCN1)N1CCN(CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is YQQJZSFVDMNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(23-9-7-15-4-1-2-6-17(15)23)14-21-10-12-22(13-11-21)19(25)16-5-3-8-20-16/h1-2,4,6,16,20H,3,5,7-14H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119857339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).