furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

C17H20N2O3 — CID 648203

IUPACfuran-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-15-6-4-14(5-7-15)13-18-8-10-19(11-9-18)17(20)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3
InChIKeyUHNZPEFROLWKPS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.25
Rot. Bonds4

About furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 648203) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID648203
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namefuran-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-15-6-4-14(5-7-15)13-18-8-10-19(11-9-18)17(20)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3
InChIKeyUHNZPEFROLWKPS-UHFFFAOYSA-N
XLogP2.25
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-4-methoxybenzamide
CID 17468809
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021
N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 46410154
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948773
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methoxyphenyl)acetamide
CID 113129105

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 648203) is furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is UHNZPEFROLWKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-6-4-14(5-7-15)13-18-8-10-19(11-9-18)17(20)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 648203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).