N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide

C15H17ClFN3O — CID 174359007

IUPACN-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
SMILESCC(=O)N(c1c(F)cccc1Cl)C1(C#N)CCN(C)CC1
InChIInChI=1S/C15H17ClFN3O/c1-11(21)20(14-12(16)4-3-5-13(14)17)15(10-18)6-8-19(2)9-7-15/h3-5H,6-9H2,1-2H3
InChIKeyUSBDTPGBCOMBRI-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.82
Rot. Bonds2

About N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide

N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide (PubChem CID 174359007) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
PubChem CID174359007
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC NameN-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
SMILESCC(=O)N(c1c(F)cccc1Cl)C1(C#N)CCN(C)CC1
InChIInChI=1S/C15H17ClFN3O/c1-11(21)20(14-12(16)4-3-5-13(14)17)15(10-18)6-8-19(2)9-7-15/h3-5H,6-9H2,1-2H3
InChIKeyUSBDTPGBCOMBRI-UHFFFAOYSA-N
XLogP2.82
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide (CID 174359007) is N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide is CC(=O)N(c1c(F)cccc1Cl)C1(C#N)CCN(C)CC1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide?
The InChIKey is USBDTPGBCOMBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-11(21)20(14-12(16)4-3-5-13(14)17)15(10-18)6-8-19(2)9-7-15/h3-5H,6-9H2,1-2H3.
What are the key properties of N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide?
N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide has a molecular weight of 309.77 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 174359007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).