N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride

C18H24ClN3O3 — CID 44585363

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-23-16-6-3-2-5-15(16)21-12-10-20(11-13-21)9-8-19-18(22)17-7-4-14-24-17;/h2-7,14H,8-13H2,1H3,(H,19,22);1H
InChIKeyYARJCAYZITVWPZ-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.26
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride (PubChem CID 44585363) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
PubChem CID44585363
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-23-16-6-3-2-5-15(16)21-12-10-20(11-13-21)9-8-19-18(22)17-7-4-14-24-17;/h2-7,14H,8-13H2,1H3,(H,19,22);1H
InChIKeyYARJCAYZITVWPZ-UHFFFAOYSA-N
XLogP2.26
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride (CID 44585363) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride is COc1ccccc1N1CCN(CCNC(=O)c2ccco2)CC1.Cl.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride?
The InChIKey is YARJCAYZITVWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.ClH/c1-23-16-6-3-2-5-15(16)21-12-10-20(11-13-21)9-8-19-18(22)17-7-4-14-24-17;/h2-7,14H,8-13H2,1H3,(H,19,22);1H.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 44585363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).