1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane

C20H35N3O — CID 91126750

IUPAC1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane
SMILESCC.CC.CN(CCN1CCNCC1=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H23N3O.2C2H6/c1-18(8-9-19-7-6-17-12-16(19)20)15-10-13-4-2-3-5-14(13)11-15;2*1-2/h2-5,15,17H,6-12H2,1H3;2*1-2H3
InChIKeyDXIRLOQJUGIXFU-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane

1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane (PubChem CID 91126750) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane.

Molecular Properties

Compound Name1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane
PubChem CID91126750
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane
SMILESCC.CC.CN(CCN1CCNCC1=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H23N3O.2C2H6/c1-18(8-9-19-7-6-17-12-16(19)20)15-10-13-4-2-3-5-14(13)11-15;2*1-2/h2-5,15,17H,6-12H2,1H3;2*1-2H3
InChIKeyDXIRLOQJUGIXFU-UHFFFAOYSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane?
The IUPAC name of 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane (CID 91126750) is 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane.
What is the SMILES notation for 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane?
The canonical SMILES for 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane is CC.CC.CN(CCN1CCNCC1=O)C1Cc2ccccc2C1.
What is the InChIKey of 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane?
The InChIKey is DXIRLOQJUGIXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2C2H6/c1-18(8-9-19-7-6-17-12-16(19)20)15-10-13-4-2-3-5-14(13)11-15;2*1-2/h2-5,15,17H,6-12H2,1H3;2*1-2H3.
What are the key properties of 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane?
1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane has a molecular weight of 333.52 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]piperazin-2-one;ethane is sourced from PubChem (CID 91126750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).