4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide

C17H18ClN3OS — CID 9060165

IUPAC4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(N2CCCCC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3OS/c18-14-6-4-13(5-7-14)17(22)20-19-12-15-8-9-16(23-15)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,20,22)/b19-12-
InChIKeyQWCPOTJFOGQQMT-UNOMPAQXSA-N
MW347.87 g/mol
LogP4.16
Rot. Bonds4

About 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide

4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 9060165) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
PubChem CID9060165
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(N2CCCCC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3OS/c18-14-6-4-13(5-7-14)17(22)20-19-12-15-8-9-16(23-15)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,20,22)/b19-12-
InChIKeyQWCPOTJFOGQQMT-UNOMPAQXSA-N
XLogP4.16
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-chlorophenoxy)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9358609
3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9460693
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
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
4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 9034357
N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804690
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide
CID 9231597
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121609
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
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 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide (CID 9060165) is 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(N2CCCCC2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is QWCPOTJFOGQQMT-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c18-14-6-4-13(5-7-14)17(22)20-19-12-15-8-9-16(23-15)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,20,22)/b19-12-.
What are the key properties of 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 347.87 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 9060165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).