N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

C18H21N3O3 — CID 109053497

IUPACN-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2cccc(C(=O)NCc3ccco3)c2)CC1
InChIInChI=1S/C18H21N3O3/c1-20-7-9-21(10-8-20)18(23)15-5-2-4-14(12-15)17(22)19-13-16-6-3-11-24-16/h2-6,11-12H,7-10,13H2,1H3,(H,19,22)
InChIKeyJZAPBQZVZNGOGB-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.60
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109053497) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109053497
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2cccc(C(=O)NCc3ccco3)c2)CC1
InChIInChI=1S/C18H21N3O3/c1-20-7-9-21(10-8-20)18(23)15-5-2-4-14(12-15)17(22)19-13-16-6-3-11-24-16/h2-6,11-12H,7-10,13H2,1H3,(H,19,22)
InChIKeyJZAPBQZVZNGOGB-UHFFFAOYSA-N
XLogP1.60
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
N-(furan-2-ylmethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841123
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834609
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540
4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 47062417
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (CID 109053497) is N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is CN1CCN(C(=O)c2cccc(C(=O)NCc3ccco3)c2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is JZAPBQZVZNGOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20-7-9-21(10-8-20)18(23)15-5-2-4-14(12-15)17(22)19-13-16-6-3-11-24-16/h2-6,11-12H,7-10,13H2,1H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).