4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one

C19H22F2N2O2 — CID 155957535

IUPAC4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(C(=O)N2CCC(C3CC3(F)F)CC2)c2ccccc21
InChIInChI=1S/C19H22F2N2O2/c1-22-16-5-3-2-4-13(16)14(10-17(22)24)18(25)23-8-6-12(7-9-23)15-11-19(15,20)21/h2-5,12,14-15H,6-11H2,1H3
InChIKeyZYCLDCBXPSFBFI-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.03
Rot. Bonds2

About 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one

4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 155957535) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID155957535
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(C(=O)N2CCC(C3CC3(F)F)CC2)c2ccccc21
InChIInChI=1S/C19H22F2N2O2/c1-22-16-5-3-2-4-13(16)14(10-17(22)24)18(25)23-8-6-12(7-9-23)15-11-19(15,20)21/h2-5,12,14-15H,6-11H2,1H3
InChIKeyZYCLDCBXPSFBFI-UHFFFAOYSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 155957535) is 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(C(=O)N2CCC(C3CC3(F)F)CC2)c2ccccc21.
What is the InChIKey of 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZYCLDCBXPSFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-22-16-5-3-2-4-13(16)14(10-17(22)24)18(25)23-8-6-12(7-9-23)15-11-19(15,20)21/h2-5,12,14-15H,6-11H2,1H3.
What are the key properties of 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one?
4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 348.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155957535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).