2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C20H21FN2O — CID 120737068

IUPAC2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H21FN2O/c21-18-6-2-5-16(12-18)19-13-22-9-10-23(19)20(24)17-8-7-14-3-1-4-15(14)11-17/h2,5-8,11-12,19,22H,1,3-4,9-10,13H2
InChIKeyNTYZCELDUBHJGR-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.10
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120737068) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120737068
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H21FN2O/c21-18-6-2-5-16(12-18)19-13-22-9-10-23(19)20(24)17-8-7-14-3-1-4-15(14)11-17/h2,5-8,11-12,19,22H,1,3-4,9-10,13H2
InChIKeyNTYZCELDUBHJGR-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736646
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120737068) is 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc2c(c1)CCC2)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NTYZCELDUBHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-6-2-5-16(12-18)19-13-22-9-10-23(19)20(24)17-8-7-14-3-1-4-15(14)11-17/h2,5-8,11-12,19,22H,1,3-4,9-10,13H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 324.40 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120737068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).