1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone

C18H22FN3O — CID 71921393

IUPAC1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C18H22FN3O/c1-13(23)22-10-7-14(8-11-22)6-9-20-18-5-3-15-2-4-16(19)12-17(15)21-18/h2-5,12,14H,6-11H2,1H3,(H,20,21)
InChIKeyNDURITMZMVURSY-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.43
Rot. Bonds4

About 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone (PubChem CID 71921393) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone
PubChem CID71921393
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C18H22FN3O/c1-13(23)22-10-7-14(8-11-22)6-9-20-18-5-3-15-2-4-16(19)12-17(15)21-18/h2-5,12,14H,6-11H2,1H3,(H,20,21)
InChIKeyNDURITMZMVURSY-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone
CID 133404189
(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485391
1-[4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 110299106
N-(2-cyclohexylethyl)quinolin-2-amine
CID 55223452
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea
CID 71916849
(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97020107
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
CID 71871267
1-chloro-3-fluorobenzene;1-[4-(2-cyclohexylethylamino)piperidin-1-yl]ethanone
CID 153338437
tert-butyl 4-[(2-chloro-4-fluoroanilino)methyl]piperidine-1-carboxylate
CID 103730126

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone (CID 71921393) is 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1.
What is the InChIKey of 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone?
The InChIKey is NDURITMZMVURSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13(23)22-10-7-14(8-11-22)6-9-20-18-5-3-15-2-4-16(19)12-17(15)21-18/h2-5,12,14H,6-11H2,1H3,(H,20,21).
What are the key properties of 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone has a molecular weight of 315.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(7-fluoroquinolin-2-yl)amino]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71921393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).