2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one

C20H24N2O3 — CID 46579880

IUPAC2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCc1occc1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c1-15-17(9-14-25-15)18(23)21-10-12-22(13-11-21)19(24)20(2,3)16-7-5-4-6-8-16/h4-9,14H,10-13H2,1-3H3
InChIKeyMGJSFBFARWSGLG-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one

2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 46579880) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID46579880
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCc1occc1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c1-15-17(9-14-25-15)18(23)21-10-12-22(13-11-21)19(24)20(2,3)16-7-5-4-6-8-16/h4-9,14H,10-13H2,1-3H3
InChIKeyMGJSFBFARWSGLG-UHFFFAOYSA-N
XLogP2.85
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 38454222
2-methyl-2-phenyl-1-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]propan-1-one
CID 78848643
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55596344
(2-methylfuran-3-yl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8814511
2-methyl-1-[4-(2-methyl-5-methylsulfonylbenzoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55564286
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 112766333
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453800
tert-butyl 3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propanoate
CID 56798003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one (CID 46579880) is 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one is Cc1occc1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is MGJSFBFARWSGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-17(9-14-25-15)18(23)21-10-12-22(13-11-21)19(24)20(2,3)16-7-5-4-6-8-16/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one?
2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 340.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 46579880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).