3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one

C19H27F2N3O2 — CID 123942977

IUPAC3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
SMILESCOCCN1CCN(C(=O)CC(N)C2CCc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C19H27F2N3O2/c1-26-9-8-23-4-6-24(7-5-23)19(25)12-18(22)14-3-2-13-10-16(20)17(21)11-15(13)14/h10-11,14,18H,2-9,12,22H2,1H3
InChIKeyFZDQLSKAZVRJHS-UHFFFAOYSA-N
MW367.44 g/mol
LogP1.50
Rot. Bonds6

About 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one

3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 123942977) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
PubChem CID123942977
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC Name3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
SMILESCOCCN1CCN(C(=O)CC(N)C2CCc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C19H27F2N3O2/c1-26-9-8-23-4-6-24(7-5-23)19(25)12-18(22)14-3-2-13-10-16(20)17(21)11-15(13)14/h10-11,14,18H,2-9,12,22H2,1H3
InChIKeyFZDQLSKAZVRJHS-UHFFFAOYSA-N
XLogP1.50
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-amino-1-(3-aminoazetidin-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123796248
3-amino-1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123371291
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 123624545
3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxyazetidin-1-yl)butan-1-one
CID 123803790
2-[5-[4-[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]piperazine-1-carbonyl]-4-chloro-2-fluorophenyl]-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 123438778
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-3-oxopropanoic acid
CID 62229918
2-iodo-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 155022940
5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene
CID 22975342
3-amino-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119891709
(2R)-2-(3,4-difluorophenoxy)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]propan-1-one
CID 96545944

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one (CID 123942977) is 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one is COCCN1CCN(C(=O)CC(N)C2CCc3cc(F)c(F)cc32)CC1.
What is the InChIKey of 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is FZDQLSKAZVRJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-26-9-8-23-4-6-24(7-5-23)19(25)12-18(22)14-3-2-13-10-16(20)17(21)11-15(13)14/h10-11,14,18H,2-9,12,22H2,1H3.
What are the key properties of 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one?
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 367.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 123942977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).