N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide

C25H38N4O4S — CID 46345267

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
SMILESCC1CCCN(CCCNC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1
InChIInChI=1S/C25H38N4O4S/c1-20-7-5-13-27(18-20)14-6-12-26-24(30)19-29-23-10-9-22(17-21(23)8-11-25(29)31)34(32,33)28-15-3-2-4-16-28/h9-10,17,20H,2-8,11-16,18-19H2,1H3,(H,26,30)
InChIKeyGVWFCLCVXVIIRX-UHFFFAOYSA-N
MW490.67 g/mol
LogP2.38
Rot. Bonds8

About N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide

N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 46345267) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID46345267
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
SMILESCC1CCCN(CCCNC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1
InChIInChI=1S/C25H38N4O4S/c1-20-7-5-13-27(18-20)14-6-12-26-24(30)19-29-23-10-9-22(17-21(23)8-11-25(29)31)34(32,33)28-15-3-2-4-16-28/h9-10,17,20H,2-8,11-16,18-19H2,1H3,(H,26,30)
InChIKeyGVWFCLCVXVIIRX-UHFFFAOYSA-N
XLogP2.38
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.38
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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Related Compounds

N-[3-(3-methylpiperidin-1-yl)propyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20876459
2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-propylacetamide
CID 53122441
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide
CID 92664959
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 50794817
N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794882
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
N-(2-methoxyethyl)-2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
CID 53122448
N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 20958718
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzothiazin-4-yl]acetamide
CID 92504490
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 20938142
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55717991

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide (CID 46345267) is N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide is CC1CCCN(CCCNC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is GVWFCLCVXVIIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-20-7-5-13-27(18-20)14-6-12-26-24(30)19-29-23-10-9-22(17-21(23)8-11-25(29)31)34(32,33)28-15-3-2-4-16-28/h9-10,17,20H,2-8,11-16,18-19H2,1H3,(H,26,30).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 490.67 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 46345267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).