N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C22H23N5O2 — CID 45272465

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C22H23N5O2/c28-22(24-18-13-16-5-1-2-6-17(16)14-18)27-11-8-15(9-12-27)21-25-20(26-29-21)19-7-3-4-10-23-19/h1-7,10,15,18H,8-9,11-14H2,(H,24,28)
InChIKeyLIGSTQGIBHCWAB-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.19
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 45272465) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID45272465
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C22H23N5O2/c28-22(24-18-13-16-5-1-2-6-17(16)14-18)27-11-8-15(9-12-27)21-25-20(26-29-21)19-7-3-4-10-23-19/h1-7,10,15,18H,8-9,11-14H2,(H,24,28)
InChIKeyLIGSTQGIBHCWAB-UHFFFAOYSA-N
XLogP3.19
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 45272465) is N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NC1Cc2ccccc2C1)N1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LIGSTQGIBHCWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(24-18-13-16-5-1-2-6-17(16)14-18)27-11-8-15(9-12-27)21-25-20(26-29-21)19-7-3-4-10-23-19/h1-7,10,15,18H,8-9,11-14H2,(H,24,28).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 45272465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).