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

C22H31N3O3 — CID 3243055

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCC1CC(C)CN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)C1
InChIInChI=1S/C22H31N3O3/c1-16-11-17(2)14-25(13-16)10-6-9-23-21(26)15-28-20-12-22(27)24(3)19-8-5-4-7-18(19)20/h4-5,7-8,12,16-17H,6,9-11,13-15H2,1-3H3,(H,23,26)
InChIKeySSOWUTBUSRREHD-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.40
Rot. Bonds7

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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 3243055) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID3243055
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCC1CC(C)CN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)C1
InChIInChI=1S/C22H31N3O3/c1-16-11-17(2)14-25(13-16)10-6-9-23-21(26)15-28-20-12-22(27)24(3)19-8-5-4-7-18(19)20/h4-5,7-8,12,16-17H,6,9-11,13-15H2,1-3H3,(H,23,26)
InChIKeySSOWUTBUSRREHD-UHFFFAOYSA-N
XLogP2.40
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.40
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-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (CID 3243055) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is CC1CC(C)CN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is SSOWUTBUSRREHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-11-17(2)14-25(13-16)10-6-9-23-21(26)15-28-20-12-22(27)24(3)19-8-5-4-7-18(19)20/h4-5,7-8,12,16-17H,6,9-11,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 385.51 g/mol, XLogP of 2.40, 7 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-methyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 3243055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).