[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H22N2O2 — CID 174919196

IUPAC[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C18H22N2O2/c1-14(2)19-9-11-20(12-10-19)18(21)16-7-5-15(6-8-16)17-4-3-13-22-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNIZPQFMSEABOCW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.11
Rot. Bonds3

About [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 174919196) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID174919196
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C18H22N2O2/c1-14(2)19-9-11-20(12-10-19)18(21)16-7-5-15(6-8-16)17-4-3-13-22-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNIZPQFMSEABOCW-UHFFFAOYSA-N
XLogP3.11
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97149202
[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71690162
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone
CID 35396832
[4-(furan-2-yl)phenyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 90653085
4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 21025530
[4-(furan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 90649735
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
propan-2-yl 4-(furan-2-yl)benzoate
CID 168528785
CID 143452875
CID 143452875
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[4-(1,3-dithiolan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 46602256

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 174919196) is [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1.
What is the InChIKey of [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is NIZPQFMSEABOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(2)19-9-11-20(12-10-19)18(21)16-7-5-15(6-8-16)17-4-3-13-22-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 174919196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).