2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide

C18H22F2N4O — CID 138045334

IUPAC2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(CN1CCNCC1C(F)F)NCCc1cccc2cccnc12
InChIInChI=1S/C18H22F2N4O/c19-18(20)15-11-21-9-10-24(15)12-16(25)22-8-6-14-4-1-3-13-5-2-7-23-17(13)14/h1-5,7,15,18,21H,6,8-12H2,(H,22,25)
InChIKeyLQNDDWDJHCQOET-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide

2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 138045334) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID138045334
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(CN1CCNCC1C(F)F)NCCc1cccc2cccnc12
InChIInChI=1S/C18H22F2N4O/c19-18(20)15-11-21-9-10-24(15)12-16(25)22-8-6-14-4-1-3-13-5-2-7-23-17(13)14/h1-5,7,15,18,21H,6,8-12H2,(H,22,25)
InChIKeyLQNDDWDJHCQOET-UHFFFAOYSA-N
XLogP1.43
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride
CID 119840582
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 46434974
2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 126819530
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 75384041
2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide (CID 138045334) is 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide is O=C(CN1CCNCC1C(F)F)NCCc1cccc2cccnc12.
What is the InChIKey of 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is LQNDDWDJHCQOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c19-18(20)15-11-21-9-10-24(15)12-16(25)22-8-6-14-4-1-3-13-5-2-7-23-17(13)14/h1-5,7,15,18,21H,6,8-12H2,(H,22,25).
What are the key properties of 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 138045334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).