2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone

C20H23ClN2O3 — CID 136539206

IUPAC2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(C)c1occc1C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H23ClN2O3/c1-14(2)19-16(7-12-26-19)20(25)23-10-8-22(9-11-23)18(24)13-15-5-3-4-6-17(15)21/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyBIDHSPSJLYUICW-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 136539206) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID136539206
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(C)c1occc1C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H23ClN2O3/c1-14(2)19-16(7-12-26-19)20(25)23-10-8-22(9-11-23)18(24)13-15-5-3-4-6-17(15)21/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyBIDHSPSJLYUICW-UHFFFAOYSA-N
XLogP3.58
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120848013
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 119306674
2-(2-chlorophenyl)-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 86267039
2-(2-chlorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9254435
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone (CID 136539206) is 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone is CC(C)c1occc1C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is BIDHSPSJLYUICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(2)19-16(7-12-26-19)20(25)23-10-8-22(9-11-23)18(24)13-15-5-3-4-6-17(15)21/h3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 374.87 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 136539206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).