4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide

C18H21ClN2O2 — CID 16896100

IUPAC4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2ccco2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c19-16-5-3-15(4-6-16)18(22)20-12-14-7-9-21(10-8-14)13-17-2-1-11-23-17/h1-6,11,14H,7-10,12-13H2,(H,20,22)
InChIKeyMCOBWFVXTHCNKA-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.58
Rot. Bonds5

About 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide

4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16896100) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16896100
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2ccco2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c19-16-5-3-15(4-6-16)18(22)20-12-14-7-9-21(10-8-14)13-17-2-1-11-23-17/h1-6,11,14H,7-10,12-13H2,(H,20,22)
InChIKeyMCOBWFVXTHCNKA-UHFFFAOYSA-N
XLogP3.58
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16896100) is 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(Cc2ccco2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is MCOBWFVXTHCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-5-3-15(4-6-16)18(22)20-12-14-7-9-21(10-8-14)13-17-2-1-11-23-17/h1-6,11,14H,7-10,12-13H2,(H,20,22).
What are the key properties of 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 332.83 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16896100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).