2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

C20H21FN2O2 — CID 90191810

IUPAC2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)C2=CC3=C2CCC3)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-6-4-14(5-7-16)19(24)13-22-8-10-23(11-9-22)20(25)18-12-15-2-1-3-17(15)18/h4-7,12H,1-3,8-11,13H2
InChIKeySELZZVPAUDYVRI-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 90191810) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID90191810
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)C2=CC3=C2CCC3)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-6-4-14(5-7-16)19(24)13-22-8-10-23(11-9-22)20(25)18-12-15-2-1-3-17(15)18/h4-7,12H,1-3,8-11,13H2
InChIKeySELZZVPAUDYVRI-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358987
1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24936428
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 90191810) is 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1CCN(C(=O)C2=CC3=C2CCC3)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is SELZZVPAUDYVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-6-4-14(5-7-16)19(24)13-22-8-10-23(11-9-22)20(25)18-12-15-2-1-3-17(15)18/h4-7,12H,1-3,8-11,13H2.
What are the key properties of 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 340.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 90191810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).