N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C24H22ClN5O2 — CID 44629065

IUPACN-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2Cl)CCC1c1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C24H22ClN5O2/c1-15-14-30(24(31)27-20-9-5-3-7-18(20)25)13-12-17(15)23-28-22(29-32-23)21-11-10-16-6-2-4-8-19(16)26-21/h2-11,15,17H,12-14H2,1H3,(H,27,31)
InChIKeyBMMFFGHJPCJSJK-UHFFFAOYSA-N
MW447.93 g/mol
LogP5.60
Rot. Bonds3

About N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 44629065) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID44629065
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC NameN-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2Cl)CCC1c1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C24H22ClN5O2/c1-15-14-30(24(31)27-20-9-5-3-7-18(20)25)13-12-17(15)23-28-22(29-32-23)21-11-10-16-6-2-4-8-19(16)26-21/h2-11,15,17H,12-14H2,1H3,(H,27,31)
InChIKeyBMMFFGHJPCJSJK-UHFFFAOYSA-N
XLogP5.60
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.93
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 44629065) is N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC1CN(C(=O)Nc2ccccc2Cl)CCC1c1nc(-c2ccc3ccccc3n2)no1.
What is the InChIKey of N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is BMMFFGHJPCJSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-15-14-30(24(31)27-20-9-5-3-7-18(20)25)13-12-17(15)23-28-22(29-32-23)21-11-10-16-6-2-4-8-19(16)26-21/h2-11,15,17H,12-14H2,1H3,(H,27,31).
What are the key properties of N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 44629065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).