2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide

C24H32FN3O — CID 121318090

IUPAC2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide
SMILESCC1(CC(=O)NC2(C)CCCCC2)CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H32FN3O/c1-23(17-22(29)27-24(2)9-4-3-5-10-24)11-14-28(15-12-23)21-8-13-26-20-7-6-18(25)16-19(20)21/h6-8,13,16H,3-5,9-12,14-15,17H2,1-2H3,(H,27,29)
InChIKeyKELVXCWWJRQKIT-UHFFFAOYSA-N
MW397.54 g/mol
LogP5.21
Rot. Bonds4

About 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide

2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide (PubChem CID 121318090) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide
PubChem CID121318090
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide
SMILESCC1(CC(=O)NC2(C)CCCCC2)CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H32FN3O/c1-23(17-22(29)27-24(2)9-4-3-5-10-24)11-14-28(15-12-23)21-8-13-26-20-7-6-18(25)16-19(20)21/h6-8,13,16H,3-5,9-12,14-15,17H2,1-2H3,(H,27,29)
InChIKeyKELVXCWWJRQKIT-UHFFFAOYSA-N
XLogP5.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide?
The IUPAC name of 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide (CID 121318090) is 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide is CC1(CC(=O)NC2(C)CCCCC2)CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide?
The InChIKey is KELVXCWWJRQKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O/c1-23(17-22(29)27-24(2)9-4-3-5-10-24)11-14-28(15-12-23)21-8-13-26-20-7-6-18(25)16-19(20)21/h6-8,13,16H,3-5,9-12,14-15,17H2,1-2H3,(H,27,29).
What are the key properties of 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide?
2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide has a molecular weight of 397.54 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoroquinolin-4-yl)-4-methylpiperidin-4-yl]-N-(1-methylcyclohexyl)acetamide is sourced from PubChem (CID 121318090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).