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

C20H21FN2O — CID 110399802

IUPAC[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C20H21FN2O/c21-17-6-3-5-16(14-17)20(24)23-12-10-22(11-13-23)19-9-8-15-4-1-2-7-18(15)19/h1-7,14,19H,8-13H2
InChIKeyAVUBYVZBTBYMQB-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.27
Rot. Bonds2

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

[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 110399802) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID110399802
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C20H21FN2O/c21-17-6-3-5-16(14-17)20(24)23-12-10-22(11-13-23)19-9-8-15-4-1-2-7-18(15)19/h1-7,14,19H,8-13H2
InChIKeyAVUBYVZBTBYMQB-UHFFFAOYSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone
CID 110290825
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
CID 110399834
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125129968
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
[3-(dimethylamino)phenyl]-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methanone
CID 46100791
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone
CID 110308682
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 110399802) is [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(C2CCc3ccccc32)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is AVUBYVZBTBYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-17-6-3-5-16(14-17)20(24)23-12-10-22(11-13-23)19-9-8-15-4-1-2-7-18(15)19/h1-7,14,19H,8-13H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 324.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 110399802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).