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

C27H26N4O2 — CID 44628150

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1Cc2ccccc2C1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C27H26N4O2/c32-25(17-18-15-21-6-1-2-7-22(21)16-18)31-13-11-20(12-14-31)27-29-26(30-33-27)24-10-9-19-5-3-4-8-23(19)28-24/h1-10,18,20H,11-17H2
InChIKeyCVLQTZKEDPQPCR-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.80
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 44628150) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID44628150
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1Cc2ccccc2C1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C27H26N4O2/c32-25(17-18-15-21-6-1-2-7-22(21)16-18)31-13-11-20(12-14-31)27-29-26(30-33-27)24-10-9-19-5-3-4-8-23(19)28-24/h1-10,18,20H,11-17H2
InChIKeyCVLQTZKEDPQPCR-UHFFFAOYSA-N
XLogP4.80
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 44628150) is 2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(CC1Cc2ccccc2C1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is CVLQTZKEDPQPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-25(17-18-15-21-6-1-2-7-22(21)16-18)31-13-11-20(12-14-31)27-29-26(30-33-27)24-10-9-19-5-3-4-8-23(19)28-24/h1-10,18,20H,11-17H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 438.53 g/mol, XLogP of 4.80, 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-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 44628150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).