N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide

C24H28N4O4 — CID 24794266

IUPACN,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1
InChIInChI=1S/C24H28N4O4/c1-3-27(4-2)23(29)18-8-6-12-28(15-18)24(30)22-14-20(32-26-22)16-31-19-9-10-21-17(13-19)7-5-11-25-21/h5,7,9-11,13-14,18H,3-4,6,8,12,15-16H2,1-2H3
InChIKeyLXLSYBQANVZKSJ-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.52
Rot. Bonds7

About N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide

N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide (PubChem CID 24794266) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
PubChem CID24794266
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1
InChIInChI=1S/C24H28N4O4/c1-3-27(4-2)23(29)18-8-6-12-28(15-18)24(30)22-14-20(32-26-22)16-31-19-9-10-21-17(13-19)7-5-11-25-21/h5,7,9-11,13-14,18H,3-4,6,8,12,15-16H2,1-2H3
InChIKeyLXLSYBQANVZKSJ-UHFFFAOYSA-N
XLogP3.52
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ML381
CID 42519285
N-cyclopentyl-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16190148
Dafadine-A
CID 24790866
1-({5-[(Quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperidin-4-ol
CID 16187688
1-[1-({5-[(Quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperidin-4-yl]propan-1-ol
CID 16187732
Ethyl 4-({5-[(quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperazine-1-carboxylate
CID 16187802
N-methyl-N-[(3-methylisoxazol-5-yl)methyl]-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16188167
dafadine C
CID 16189154
N-cyclooctyl-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16189691
N-[1-(4-fluorophenyl)ethyl]-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16190214
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16190316
6-{[3-(Azepan-1-ylcarbonyl)isoxazol-5-yl]methoxy}quinoline
CID 16190805

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide (CID 24794266) is N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1.
What is the InChIKey of N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is LXLSYBQANVZKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-27(4-2)23(29)18-8-6-12-28(15-18)24(30)22-14-20(32-26-22)16-31-19-9-10-21-17(13-19)7-5-11-25-21/h5,7,9-11,13-14,18H,3-4,6,8,12,15-16H2,1-2H3.
What are the key properties of N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide?
N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 24794266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).