(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone

C20H20F2N2O — CID 110399834

IUPAC(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C20H20F2N2O/c21-17-7-5-15(13-18(17)22)20(25)24-11-9-23(10-12-24)19-8-6-14-3-1-2-4-16(14)19/h1-5,7,13,19H,6,8-12H2
InChIKeyWBZKDELBMFIIPJ-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.41
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone (PubChem CID 110399834) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
PubChem CID110399834
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C20H20F2N2O/c21-17-7-5-15(13-18(17)22)20(25)24-11-9-23(10-12-24)19-8-6-14-3-1-2-4-16(14)19/h1-5,7,13,19H,6,8-12H2
InChIKeyWBZKDELBMFIIPJ-UHFFFAOYSA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110399802
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone
CID 110290825
N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
CID 110399826
4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110399846
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139008558
(3,4-difluorophenyl)-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095527
[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4-difluorophenyl)methanone
CID 46095608
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51307935
(3,4-difluorophenyl)-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92767988
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone (CID 110399834) is (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(C2CCc3ccccc32)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone?
The InChIKey is WBZKDELBMFIIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c21-17-7-5-15(13-18(17)22)20(25)24-11-9-23(10-12-24)19-8-6-14-3-1-2-4-16(14)19/h1-5,7,13,19H,6,8-12H2.
What are the key properties of (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone has a molecular weight of 342.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110399834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).