N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide

C27H30F2N2O3 — CID 45171343

IUPACN-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CC(=O)c3ccccc32)CC1
InChIInChI=1S/C27H30F2N2O3/c1-3-26(33)30(2)24(14-18-8-9-19(28)15-23(18)29)17-10-12-31(13-11-17)27(34)22-16-25(32)21-7-5-4-6-20(21)22/h4-9,15,17,22,24H,3,10-14,16H2,1-2H3
InChIKeyCNJKCQVMBIRQOJ-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide

N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide (PubChem CID 45171343) has the molecular formula C27H30F2N2O3 and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
PubChem CID45171343
Molecular FormulaC27H30F2N2O3
Molecular Weight468.54 g/mol
Exact Mass468.22
IUPAC NameN-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CC(=O)c3ccccc32)CC1
InChIInChI=1S/C27H30F2N2O3/c1-3-26(33)30(2)24(14-18-8-9-19(28)15-23(18)29)17-10-12-31(13-11-17)27(34)22-16-25(32)21-7-5-4-6-20(21)22/h4-9,15,17,22,24H,3,10-14,16H2,1-2H3
InChIKeyCNJKCQVMBIRQOJ-UHFFFAOYSA-N
XLogP4.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylpiperidine-1-carbonyl)-9H-fluoren-9-one
CID 3146156
N4,N4-diethyl-9-oxo-9H-fluorene-4-carboxamide
CID 2801781
2-(Piperidine-1-carbonyl)fluoren-9-one
CID 1092427
2-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-2,3-dihydroinden-1-one
CID 9951008
5-Fluoro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3-dihydroinden-1-one
CID 9951964
3-[[4-(4-Fluorobenzoyl)piperidin-1-yl]methyl]-2,3-dihydroinden-1-one
CID 44326982
4-(4-methylpiperidine-1-carbonyl)-9H-fluoren-9-one
CID 738318
2-[2-[4-[4-(4-Fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one
CID 10024430
5-Fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one
CID 10622347
1-(4-Fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one
CID 10807863
3-[[4-[4-(4-Fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
CID 10810641
4-[3-(1,2-dihydro-5-acenaphthylenylcarbonyl)-1-piperidinyl]-N,N-dimethyl-4-oxobutanamide
CID 16191086

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide (CID 45171343) is N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide is CCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CC(=O)c3ccccc32)CC1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The InChIKey is CNJKCQVMBIRQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2O3/c1-3-26(33)30(2)24(14-18-8-9-19(28)15-23(18)29)17-10-12-31(13-11-17)27(34)22-16-25(32)21-7-5-4-6-20(21)22/h4-9,15,17,22,24H,3,10-14,16H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide has a molecular weight of 468.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 45171343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).