(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone

C21H30FN3O — CID 142669666

IUPAC(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)C1CCCN(C2CCNCC2)C1
InChIInChI=1S/C21H30FN3O/c1-15-4-5-16-13-18(22)6-7-20(16)25(15)21(26)17-3-2-12-24(14-17)19-8-10-23-11-9-19/h6-7,13,15,17,19,23H,2-5,8-12,14H2,1H3
InChIKeyIFQNWRYDQKLQDU-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.96
Rot. Bonds2

About (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone (PubChem CID 142669666) has the molecular formula C21H30FN3O and a molecular weight of 359.49 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone
PubChem CID142669666
Molecular FormulaC21H30FN3O
Molecular Weight359.49 g/mol
Exact Mass359.24
IUPAC Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)C1CCCN(C2CCNCC2)C1
InChIInChI=1S/C21H30FN3O/c1-15-4-5-16-13-18(22)6-7-20(16)25(15)21(26)17-3-2-12-24(14-17)19-8-10-23-11-9-19/h6-7,13,15,17,19,23H,2-5,8-12,14H2,1H3
InChIKeyIFQNWRYDQKLQDU-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone with MolForge

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Related Compounds

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 90514774
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121071011
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070512
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 52992953
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 3648502
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 5220666
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(9H-xanthen-9-yl)methanone
CID 4999106
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
2-(4-chlorophenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40591218

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone?
The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone (CID 142669666) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone?
The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone is CC1CCc2cc(F)ccc2N1C(=O)C1CCCN(C2CCNCC2)C1.
What is the InChIKey of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone?
The InChIKey is IFQNWRYDQKLQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O/c1-15-4-5-16-13-18(22)6-7-20(16)25(15)21(26)17-3-2-12-24(14-17)19-8-10-23-11-9-19/h6-7,13,15,17,19,23H,2-5,8-12,14H2,1H3.
What are the key properties of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone?
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone has a molecular weight of 359.49 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 142669666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).