(4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone

C18H21ClN2O3 — CID 84592898

IUPAC(4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone
SMILESCOCc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C18H21ClN2O3/c1-23-13-17-7-6-16(24-17)12-20-8-10-21(11-9-20)18(22)14-2-4-15(19)5-3-14/h2-7H,8-13H2,1H3
InChIKeyWIXQXQPJAWYDTP-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.04
Rot. Bonds5

About (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 84592898) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID84592898
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name(4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone
SMILESCOCc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C18H21ClN2O3/c1-23-13-17-7-6-16(24-17)12-20-8-10-21(11-9-20)18(22)14-2-4-15(19)5-3-14/h2-7H,8-13H2,1H3
InChIKeyWIXQXQPJAWYDTP-UHFFFAOYSA-N
XLogP3.04
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[[5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19325489
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17366074
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 8624033
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 51292547
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498
1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 75439073
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 9100176
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325456
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108544814

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone (CID 84592898) is (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone is COCc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is WIXQXQPJAWYDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-23-13-17-7-6-16(24-17)12-20-8-10-21(11-9-20)18(22)14-2-4-15(19)5-3-14/h2-7H,8-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 348.83 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 84592898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).