5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide

C16H24BrN3O3 — CID 9472859

IUPAC5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H24BrN3O3/c1-12-5-2-3-9-20(12)10-4-8-18-15(21)11-19-16(22)13-6-7-14(17)23-13/h6-7,12H,2-5,8-11H2,1H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyPLCRCOQUSWHCCV-GFCCVEGCSA-N
MW386.29 g/mol
LogP2.15
Rot. Bonds7

About 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9472859) has the molecular formula C16H24BrN3O3 and a molecular weight of 386.29 g/mol. Its IUPAC name is 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9472859
Molecular FormulaC16H24BrN3O3
Molecular Weight386.29 g/mol
Exact Mass385.10
IUPAC Name5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H24BrN3O3/c1-12-5-2-3-9-20(12)10-4-8-18-15(21)11-19-16(22)13-6-7-14(17)23-13/h6-7,12H,2-5,8-11H2,1H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyPLCRCOQUSWHCCV-GFCCVEGCSA-N
XLogP2.15
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7976083
6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide
CID 9473761
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide (CID 9472859) is 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide is C[C@@H]1CCCCN1CCCNC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PLCRCOQUSWHCCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24BrN3O3/c1-12-5-2-3-9-20(12)10-4-8-18-15(21)11-19-16(22)13-6-7-14(17)23-13/h6-7,12H,2-5,8-11H2,1H3,(H,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 386.29 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9472859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).