N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide

C18H20N4O — CID 146038812

IUPACN-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc3ccccc3c(C)c2C#N)C1
InChIInChI=1S/C18H20N4O/c1-12-15-7-3-4-8-17(15)21-18(16(12)10-19)22-9-5-6-14(11-22)20-13(2)23/h3-4,7-8,14H,5-6,9,11H2,1-2H3,(H,20,23)
InChIKeyDJIMOPANQFGPJG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.52
Rot. Bonds2

About N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide

N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide (PubChem CID 146038812) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide
PubChem CID146038812
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc3ccccc3c(C)c2C#N)C1
InChIInChI=1S/C18H20N4O/c1-12-15-7-3-4-8-17(15)21-18(16(12)10-19)22-9-5-6-14(11-22)20-13(2)23/h3-4,7-8,14H,5-6,9,11H2,1-2H3,(H,20,23)
InChIKeyDJIMOPANQFGPJG-UHFFFAOYSA-N
XLogP2.52
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide (CID 146038812) is N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2nc3ccccc3c(C)c2C#N)C1.
What is the InChIKey of N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide?
The InChIKey is DJIMOPANQFGPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-15-7-3-4-8-17(15)21-18(16(12)10-19)22-9-5-6-14(11-22)20-13(2)23/h3-4,7-8,14H,5-6,9,11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide?
N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 146038812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).