N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

C23H33N3O3 — CID 3239072

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCn1c(=O)cc(OCC(=O)NCCCN2CC(C)CC(C)C2)c2ccccc21
InChIInChI=1S/C23H33N3O3/c1-4-26-20-9-6-5-8-19(20)21(13-23(26)28)29-16-22(27)24-10-7-11-25-14-17(2)12-18(3)15-25/h5-6,8-9,13,17-18H,4,7,10-12,14-16H2,1-3H3,(H,24,27)
InChIKeyMJJAURQTBGYBOA-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.88
Rot. Bonds8

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 3239072) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID3239072
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCn1c(=O)cc(OCC(=O)NCCCN2CC(C)CC(C)C2)c2ccccc21
InChIInChI=1S/C23H33N3O3/c1-4-26-20-9-6-5-8-19(20)21(13-23(26)28)29-16-22(27)24-10-7-11-25-14-17(2)12-18(3)15-25/h5-6,8-9,13,17-18H,4,7,10-12,14-16H2,1-3H3,(H,24,27)
InChIKeyMJJAURQTBGYBOA-UHFFFAOYSA-N
XLogP2.88
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (CID 3239072) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is CCn1c(=O)cc(OCC(=O)NCCCN2CC(C)CC(C)C2)c2ccccc21.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is MJJAURQTBGYBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-4-26-20-9-6-5-8-19(20)21(13-23(26)28)29-16-22(27)24-10-7-11-25-14-17(2)12-18(3)15-25/h5-6,8-9,13,17-18H,4,7,10-12,14-16H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 399.54 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 3239072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).