methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate

C19H23FN2O4 — CID 34710088

IUPACmethyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1CCN(Cc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C19H23FN2O4/c1-24-17-4-3-14(11-16(17)20)12-21-6-8-22(9-7-21)13-15-5-10-26-18(15)19(23)25-2/h3-5,10-11H,6-9,12-13H2,1-2H3
InChIKeyLUXKZHXZZYATQZ-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.53
Rot. Bonds6

About methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate

methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate (PubChem CID 34710088) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
PubChem CID34710088
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Namemethyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1CCN(Cc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C19H23FN2O4/c1-24-17-4-3-14(11-16(17)20)12-21-6-8-22(9-7-21)13-15-5-10-26-18(15)19(23)25-2/h3-5,10-11H,6-9,12-13H2,1-2H3
InChIKeyLUXKZHXZZYATQZ-UHFFFAOYSA-N
XLogP2.53
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
2-(4-chlorophenyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 110399355
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypiperidine-4-carboxylic acid
CID 56896082
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 51189808
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069859
N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]cyclohexan-1-ol
CID 110883553

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate (CID 34710088) is methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1occc1CN1CCN(Cc2ccc(OC)c(F)c2)CC1.
What is the InChIKey of methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is LUXKZHXZZYATQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-24-17-4-3-14(11-16(17)20)12-21-6-8-22(9-7-21)13-15-5-10-26-18(15)19(23)25-2/h3-5,10-11H,6-9,12-13H2,1-2H3.
What are the key properties of methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate?
methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 362.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 34710088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).