2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide

C22H22FN3O2 — CID 46980899

IUPAC2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESO=C(CN1CCC(Oc2ccccc2F)CC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C22H22FN3O2/c23-19-5-1-2-6-21(19)28-18-9-12-26(13-10-18)15-22(27)25-17-7-8-20-16(14-17)4-3-11-24-20/h1-8,11,14,18H,9-10,12-13,15H2,(H,25,27)
InChIKeyWKMXUIGMIXXIFD-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.86
Rot. Bonds5

About 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide

2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide (PubChem CID 46980899) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide
PubChem CID46980899
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESO=C(CN1CCC(Oc2ccccc2F)CC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C22H22FN3O2/c23-19-5-1-2-6-21(19)28-18-9-12-26(13-10-18)15-22(27)25-17-7-8-20-16(14-17)4-3-11-24-20/h1-8,11,14,18H,9-10,12-13,15H2,(H,25,27)
InChIKeyWKMXUIGMIXXIFD-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 24985739
2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 46968830
2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 11668562
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
CID 11682940
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate
CID 54121890
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide
CID 44526599
N-[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-4-methylphenyl]quinoline-6-carboxamide;2,2,2-trifluoroacetic acid
CID 44526173
N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide
CID 44781283
2-(4-aminopiperidin-1-yl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738459

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide (CID 46980899) is 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide is O=C(CN1CCC(Oc2ccccc2F)CC1)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The InChIKey is WKMXUIGMIXXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-19-5-1-2-6-21(19)28-18-9-12-26(13-10-18)15-22(27)25-17-7-8-20-16(14-17)4-3-11-24-20/h1-8,11,14,18H,9-10,12-13,15H2,(H,25,27).
What are the key properties of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide?
2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide has a molecular weight of 379.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 46980899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).