3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide

C19H23N3O4 — CID 4291595

IUPAC3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)NN=Cc2ccc(N3CCCCC3)o2)c1
InChIInChI=1S/C19H23N3O4/c1-24-16-10-14(11-17(12-16)25-2)19(23)21-20-13-15-6-7-18(26-15)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyZGYVYROIONMKKD-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.05
Rot. Bonds6

About 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide

3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide (PubChem CID 4291595) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide
PubChem CID4291595
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)NN=Cc2ccc(N3CCCCC3)o2)c1
InChIInChI=1S/C19H23N3O4/c1-24-16-10-14(11-17(12-16)25-2)19(23)21-20-13-15-6-7-18(26-15)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyZGYVYROIONMKKD-UHFFFAOYSA-N
XLogP3.05
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9460693
2-methoxy-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126015567
4-chloro-3-[5-[[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3487088
N-[(E)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126028715
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
3,4-dichloro-N-[3-methyl-1-oxo-1-[2-[(5-piperidin-1-ylfuran-2-yl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 4009429
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 4589073
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 6078144

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide (CID 4291595) is 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide is COc1cc(OC)cc(C(=O)NN=Cc2ccc(N3CCCCC3)o2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is ZGYVYROIONMKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-16-10-14(11-17(12-16)25-2)19(23)21-20-13-15-6-7-18(26-15)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide?
3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 4291595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).