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

C19H23N3O3S — CID 9460693

IUPAC3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCCCC3)s2)c1
InChIInChI=1S/C19H23N3O3S/c1-24-15-10-14(11-16(12-15)25-2)19(23)21-20-13-17-6-7-18(26-17)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23)/b20-13-
InChIKeyUCSYMSHYLQJRJH-MOSHPQCFSA-N
MW373.48 g/mol
LogP3.52
Rot. Bonds6

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

3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 9460693) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
PubChem CID9460693
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCCCC3)s2)c1
InChIInChI=1S/C19H23N3O3S/c1-24-15-10-14(11-16(12-15)25-2)19(23)21-20-13-17-6-7-18(26-17)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23)/b20-13-
InChIKeyUCSYMSHYLQJRJH-MOSHPQCFSA-N
XLogP3.52
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide
CID 4291595
2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 9359487
4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983107
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide
CID 9231597
1-(3,4-dimethoxyphenyl)-3-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]thiourea
CID 7956132
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
CID 119055652
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 6893140
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
3-ethyl-4-oxo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]phthalazine-1-carboxamide
CID 9462786

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide (CID 9460693) is 3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide is COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCCCC3)s2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is UCSYMSHYLQJRJH-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-24-15-10-14(11-16(12-15)25-2)19(23)21-20-13-17-6-7-18(26-17)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23)/b20-13-.
What are the key properties of 3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide?
3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 373.48 g/mol, XLogP of 3.52, 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-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 9460693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).