5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride

C18H22BrClN2O3 — CID 120557308

IUPAC5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C18H21BrN2O3.ClH/c1-12-10-20-9-8-16(12)21-18(22)17-7-6-15(24-17)11-23-14-4-2-13(19)3-5-14;/h2-7,12,16,20H,8-11H2,1H3,(H,21,22);1H
InChIKeyBANLTDUPKRIPJF-UHFFFAOYSA-N
MW429.74 g/mol
LogP3.77
Rot. Bonds5

About 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride

5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride (PubChem CID 120557308) has the molecular formula C18H22BrClN2O3 and a molecular weight of 429.74 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
PubChem CID120557308
Molecular FormulaC18H22BrClN2O3
Molecular Weight429.74 g/mol
Exact Mass428.05
IUPAC Name5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C18H21BrN2O3.ClH/c1-12-10-20-9-8-16(12)21-18(22)17-7-6-15(24-17)11-23-14-4-2-13(19)3-5-14;/h2-7,12,16,20H,8-11H2,1H3,(H,21,22);1H
InChIKeyBANLTDUPKRIPJF-UHFFFAOYSA-N
XLogP3.77
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.74
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 31462340
N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
CID 120557562
N-(2,3-dimethylcyclohexyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24819810
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 25352780
[5-[(4-bromophenoxy)methyl]furan-2-yl]-(2-methylpiperazin-1-yl)methanone
CID 119472053
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771
N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119628540
2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553673
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride
CID 154895469
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119537396
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride (CID 120557308) is 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride?
The InChIKey is BANLTDUPKRIPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3.ClH/c1-12-10-20-9-8-16(12)21-18(22)17-7-6-15(24-17)11-23-14-4-2-13(19)3-5-14;/h2-7,12,16,20H,8-11H2,1H3,(H,21,22);1H.
What are the key properties of 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride?
5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride has a molecular weight of 429.74 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120557308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).