N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

C22H31N3O3 — CID 3238420

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCC1CCCCN1CCCNC(=O)COc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C22H31N3O3/c1-3-17-9-6-7-13-25(17)14-8-12-23-21(26)16-28-20-15-22(27)24(2)19-11-5-4-10-18(19)20/h4-5,10-11,15,17H,3,6-9,12-14,16H2,1-2H3,(H,23,26)
InChIKeyZHHJXQQMEAKFPB-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.69
Rot. Bonds8

About N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 3238420) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID3238420
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCC1CCCCN1CCCNC(=O)COc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C22H31N3O3/c1-3-17-9-6-7-13-25(17)14-8-12-23-21(26)16-28-20-15-22(27)24(2)19-11-5-4-10-18(19)20/h4-5,10-11,15,17H,3,6-9,12-14,16H2,1-2H3,(H,23,26)
InChIKeyZHHJXQQMEAKFPB-UHFFFAOYSA-N
XLogP2.69
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.69
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-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (CID 3238420) is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is CCC1CCCCN1CCCNC(=O)COc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is ZHHJXQQMEAKFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-17-9-6-7-13-25(17)14-8-12-23-21(26)16-28-20-15-22(27)24(2)19-11-5-4-10-18(19)20/h4-5,10-11,15,17H,3,6-9,12-14,16H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 385.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 3238420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).