2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C20H26N4O2 — CID 126788774

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCN(C)c1noc(C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)n1
InChIInChI=1S/C20H26N4O2/c1-23(2)20-21-19(26-22-20)16-8-10-24(11-9-16)18(25)13-14-6-7-15-4-3-5-17(15)12-14/h6-7,12,16H,3-5,8-11,13H2,1-2H3
InChIKeyBIOUSMHSGMSVIJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 126788774) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID126788774
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCN(C)c1noc(C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)n1
InChIInChI=1S/C20H26N4O2/c1-23(2)20-21-19(26-22-20)16-8-10-24(11-9-16)18(25)13-14-6-7-15-4-3-5-17(15)12-14/h6-7,12,16H,3-5,8-11,13H2,1-2H3
InChIKeyBIOUSMHSGMSVIJ-UHFFFAOYSA-N
XLogP2.57
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94526775
1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 99788273
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
7,8-dihydronaphthalen-2-yl-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 146124961
(1S,4R)-4-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobut-2-ene-1-carboxylic acid
CID 167977364
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone
CID 51107647
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94002536
[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 126796352
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 126788774) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is CN(C)c1noc(C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is BIOUSMHSGMSVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23(2)20-21-19(26-22-20)16-8-10-24(11-9-16)18(25)13-14-6-7-15-4-3-5-17(15)12-14/h6-7,12,16H,3-5,8-11,13H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126788774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).