5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide

C14H21BrN2O2 — CID 35416141

IUPAC5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H21BrN2O2/c1-11-5-9-17(10-6-11)8-2-7-16-14(18)12-3-4-13(15)19-12/h3-4,11H,2,5-10H2,1H3,(H,16,18)
InChIKeyGDXJFJVURFEESQ-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.89
Rot. Bonds5

About 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide

5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide (PubChem CID 35416141) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
PubChem CID35416141
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H21BrN2O2/c1-11-5-9-17(10-6-11)8-2-7-16-14(18)12-3-4-13(15)19-12/h3-4,11H,2,5-10H2,1H3,(H,16,18)
InChIKeyGDXJFJVURFEESQ-UHFFFAOYSA-N
XLogP2.89
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-[2-[4-(4-methylpiperidin-1-yl)butylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55847749
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
CID 9472859
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109
5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide
CID 110743138
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 30541364
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 111434009
N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111386974
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide (CID 35416141) is 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide is CC1CCN(CCCNC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide?
The InChIKey is GDXJFJVURFEESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11-5-9-17(10-6-11)8-2-7-16-14(18)12-3-4-13(15)19-12/h3-4,11H,2,5-10H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide?
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 35416141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).