2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide

C28H32N4O3 — CID 129454791

IUPAC2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
SMILESCc1ccc(C2(C(=O)N3CCC(CC(=O)Nc4ccc5nccnc5c4)CC3)CCOCC2)cc1
InChIInChI=1S/C28H32N4O3/c1-20-2-4-22(5-3-20)28(10-16-35-17-11-28)27(34)32-14-8-21(9-15-32)18-26(33)31-23-6-7-24-25(19-23)30-13-12-29-24/h2-7,12-13,19,21H,8-11,14-18H2,1H3,(H,31,33)
InChIKeyGBOWOJVBTYUGGB-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.25
Rot. Bonds5

About 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide

2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide (PubChem CID 129454791) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide.

Molecular Properties

Compound Name2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
PubChem CID129454791
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
SMILESCc1ccc(C2(C(=O)N3CCC(CC(=O)Nc4ccc5nccnc5c4)CC3)CCOCC2)cc1
InChIInChI=1S/C28H32N4O3/c1-20-2-4-22(5-3-20)28(10-16-35-17-11-28)27(34)32-14-8-21(9-15-32)18-26(33)31-23-6-7-24-25(19-23)30-13-12-29-24/h2-7,12-13,19,21H,8-11,14-18H2,1H3,(H,31,33)
InChIKeyGBOWOJVBTYUGGB-UHFFFAOYSA-N
XLogP4.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide with MolForge

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 119623001
[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 155984432
2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide
CID 110149843
2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
CID 110150364
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 75537654
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 124946519
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 155800929
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 100784364
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764
[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 129453578
[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone
CID 146076594
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The IUPAC name of 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide (CID 129454791) is 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide.
What is the SMILES notation for 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The canonical SMILES for 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide is Cc1ccc(C2(C(=O)N3CCC(CC(=O)Nc4ccc5nccnc5c4)CC3)CCOCC2)cc1.
What is the InChIKey of 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The InChIKey is GBOWOJVBTYUGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20-2-4-22(5-3-20)28(10-16-35-17-11-28)27(34)32-14-8-21(9-15-32)18-26(33)31-23-6-7-24-25(19-23)30-13-12-29-24/h2-7,12-13,19,21H,8-11,14-18H2,1H3,(H,31,33).
What are the key properties of 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide has a molecular weight of 472.59 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide is sourced from PubChem (CID 129454791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).