N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C17H18Cl2N2O2 — CID 19415907

IUPACN-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C17H18Cl2N2O2/c18-13-5-4-6-14(19)16(13)20-17(22)15-8-7-12(23-15)11-21-9-2-1-3-10-21/h4-8H,1-3,9-11H2,(H,20,22)
InChIKeyPEQIZFCPODFBPL-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.82
Rot. Bonds4

About N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19415907) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19415907
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C17H18Cl2N2O2/c18-13-5-4-6-14(19)16(13)20-17(22)15-8-7-12(23-15)11-21-9-2-1-3-10-21/h4-8H,1-3,9-11H2,(H,20,22)
InChIKeyPEQIZFCPODFBPL-UHFFFAOYSA-N
XLogP4.82
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050
N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35336962
N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415916
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416061
N-(1-methylpyrazol-3-yl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416098
2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19416107
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
CID 19415966
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415957

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 19415907) is N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCCC2)o1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is PEQIZFCPODFBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c18-13-5-4-6-14(19)16(13)20-17(22)15-8-7-12(23-15)11-21-9-2-1-3-10-21/h4-8H,1-3,9-11H2,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19415907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).