2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide

C27H32N6O2 — CID 110150364

IUPAC2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
SMILESCC1CCCN(c2cc(C(=O)N3CCC(CC(=O)Nc4ccc5nccnc5c4)CC3)ccn2)C1
InChIInChI=1S/C27H32N6O2/c1-19-3-2-12-33(18-19)25-16-21(6-9-30-25)27(35)32-13-7-20(8-14-32)15-26(34)31-22-4-5-23-24(17-22)29-11-10-28-23/h4-6,9-11,16-17,19-20H,2-3,7-8,12-15,18H2,1H3,(H,31,34)
InChIKeyKAKAZZCGRDXPEQ-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.14
Rot. Bonds5

About 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide

2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide (PubChem CID 110150364) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide.

Molecular Properties

Compound Name2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
PubChem CID110150364
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
SMILESCC1CCCN(c2cc(C(=O)N3CCC(CC(=O)Nc4ccc5nccnc5c4)CC3)ccn2)C1
InChIInChI=1S/C27H32N6O2/c1-19-3-2-12-33(18-19)25-16-21(6-9-30-25)27(35)32-13-7-20(8-14-32)15-26(34)31-22-4-5-23-24(17-22)29-11-10-28-23/h4-6,9-11,16-17,19-20H,2-3,7-8,12-15,18H2,1H3,(H,31,34)
InChIKeyKAKAZZCGRDXPEQ-UHFFFAOYSA-N
XLogP4.14
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide
CID 110149843
ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109175803
N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 136544144
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670
2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
CID 175657170
4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119186144
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The IUPAC name of 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide (CID 110150364) is 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide.
What is the SMILES notation for 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The canonical SMILES for 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide is CC1CCCN(c2cc(C(=O)N3CCC(CC(=O)Nc4ccc5nccnc5c4)CC3)ccn2)C1.
What is the InChIKey of 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The InChIKey is KAKAZZCGRDXPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-19-3-2-12-33(18-19)25-16-21(6-9-30-25)27(35)32-13-7-20(8-14-32)15-26(34)31-22-4-5-23-24(17-22)29-11-10-28-23/h4-6,9-11,16-17,19-20H,2-3,7-8,12-15,18H2,1H3,(H,31,34).
What are the key properties of 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide has a molecular weight of 472.59 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide is sourced from PubChem (CID 110150364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).