5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

C13H19ClN2O2 — CID 82110625

IUPAC5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(CCl)o2)CC1
InChIInChI=1S/C13H19ClN2O2/c1-15-7-5-10(6-8-15)16(2)13(17)12-4-3-11(9-14)18-12/h3-4,10H,5-9H2,1-2H3
InChIKeyBBZFDWSGDRZCJW-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.18
Rot. Bonds3

About 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 82110625) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
PubChem CID82110625
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(CCl)o2)CC1
InChIInChI=1S/C13H19ClN2O2/c1-15-7-5-10(6-8-15)16(2)13(17)12-4-3-11(9-14)18-12/h3-4,10H,5-9H2,1-2H3
InChIKeyBBZFDWSGDRZCJW-UHFFFAOYSA-N
XLogP2.18
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide (CID 82110625) is 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide is CN1CCC(N(C)C(=O)c2ccc(CCl)o2)CC1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is BBZFDWSGDRZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-15-7-5-10(6-8-15)16(2)13(17)12-4-3-11(9-14)18-12/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 82110625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).