[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone

C21H28N2O3 — CID 75463564

IUPAC[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H28N2O3/c24-21(19-5-2-13-25-16-19)23-10-8-22(9-11-23)12-14-26-20-7-6-17-3-1-4-18(17)15-20/h6-7,15-16H,1-5,8-14H2
InChIKeyIFAZFVOQHYSQMH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.39
Rot. Bonds5

About [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone

[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 75463564) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID75463564
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H28N2O3/c24-21(19-5-2-13-25-16-19)23-10-8-22(9-11-23)12-14-26-20-7-6-17-3-1-4-18(17)15-20/h6-7,15-16H,1-5,8-14H2
InChIKeyIFAZFVOQHYSQMH-UHFFFAOYSA-N
XLogP2.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-2-[1-(hydroxymethyl)cyclobutyl]ethanone
CID 167783785
[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone
CID 166216496
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 17421094
N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-4-oxobutanamide
CID 75277364
[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate
CID 20532689
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43251620
[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19486517
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226254
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022751
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid
CID 82224165

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 75463564) is [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone is O=C(C1=COCCC1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is IFAZFVOQHYSQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-21(19-5-2-13-25-16-19)23-10-8-22(9-11-23)12-14-26-20-7-6-17-3-1-4-18(17)15-20/h6-7,15-16H,1-5,8-14H2.
What are the key properties of [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 75463564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).