(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one

C22H28N2O4 — CID 51913759

IUPAC(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
SMILESCc1cc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1C(C)C
InChIInChI=1S/C22H28N2O4/c1-15(2)19-8-7-18(14-16(19)3)28-17(4)21(25)23-9-11-24(12-10-23)22(26)20-6-5-13-27-20/h5-8,13-15,17H,9-12H2,1-4H3/t17-/m1/s1
InChIKeyCCHSBKYLZCBURF-QGZVFWFLSA-N
MW384.48 g/mol
LogP3.46
Rot. Bonds5

About (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one

(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one (PubChem CID 51913759) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
PubChem CID51913759
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
SMILESCc1cc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1C(C)C
InChIInChI=1S/C22H28N2O4/c1-15(2)19-8-7-18(14-16(19)3)28-17(4)21(25)23-9-11-24(12-10-23)22(26)20-6-5-13-27-20/h5-8,13-15,17H,9-12H2,1-4H3/t17-/m1/s1
InChIKeyCCHSBKYLZCBURF-QGZVFWFLSA-N
XLogP3.46
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one with MolForge

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Related Compounds

1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544727
(2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 38909009
1-(4-hydroxypiperidin-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 110895183
2-(2,4-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 3158299
2-(2,3-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 17249638
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 51958452
(2R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 124588806
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119546769
[4-(furan-2-carbonyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 38911250
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one (CID 51913759) is (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one is Cc1cc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1C(C)C.
What is the InChIKey of (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one?
The InChIKey is CCHSBKYLZCBURF-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)19-8-7-18(14-16(19)3)28-17(4)21(25)23-9-11-24(12-10-23)22(26)20-6-5-13-27-20/h5-8,13-15,17H,9-12H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one?
(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 51913759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).