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

C24H30N6O3 — CID 56671927

IUPACN-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C24H30N6O3/c1-2-29-13-14-32-16-19(29)15-25-24(31)30-11-9-18(10-12-30)23-27-22(28-33-23)21-8-7-17-5-3-4-6-20(17)26-21/h3-8,18-19H,2,9-16H2,1H3,(H,25,31)
InChIKeyYEGOYQRGLZXUDF-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.89
Rot. Bonds5

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

N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56671927) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56671927
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C24H30N6O3/c1-2-29-13-14-32-16-19(29)15-25-24(31)30-11-9-18(10-12-30)23-27-22(28-33-23)21-8-7-17-5-3-4-6-20(17)26-21/h3-8,18-19H,2,9-16H2,1H3,(H,25,31)
InChIKeyYEGOYQRGLZXUDF-UHFFFAOYSA-N
XLogP2.89
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44610687
N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44629065
2-{5-[1-(Cycloheptylacetyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}quinoline
CID 44629066
Cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 44629067
4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45270788
N-(2-phenylcyclopropyl)-4-(3-(quinolin-2-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45271618
N-cyclohexyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
CID 56668936
N-(1,1-dioxothian-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56675800
(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide
CID 121313869
3-(4-(3-(Pyridin-4-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
CID 44577553
N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44628618
N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44629071

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56671927) is N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is YEGOYQRGLZXUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-2-29-13-14-32-16-19(29)15-25-24(31)30-11-9-18(10-12-30)23-27-22(28-33-23)21-8-7-17-5-3-4-6-20(17)26-21/h3-8,18-19H,2,9-16H2,1H3,(H,25,31).
What are the key properties of N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-3-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56671927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).