1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide

C18H19N3O2S — CID 126011112

IUPAC1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccs1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H19N3O2S/c22-17(20-19-13-16-7-4-12-24-16)14-8-10-21(11-9-14)18(23)15-5-2-1-3-6-15/h1-7,12-14H,8-11H2,(H,20,22)/b19-13-
InChIKeyDGYYNLKXMKKBEB-UYRXBGFRSA-N
MW341.44 g/mol
LogP2.75
Rot. Bonds4

About 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide

1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide (PubChem CID 126011112) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide
PubChem CID126011112
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccs1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H19N3O2S/c22-17(20-19-13-16-7-4-12-24-16)14-8-10-21(11-9-14)18(23)15-5-2-1-3-6-15/h1-7,12-14H,8-11H2,(H,20,22)/b19-13-
InChIKeyDGYYNLKXMKKBEB-UYRXBGFRSA-N
XLogP2.75
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.75
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

1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011002
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012287
1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011043
5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
CID 2883253
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126011452
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 126012282
1-methylsulfonyl-N-[(E)-thiophen-2-ylmethylideneamino]piperidine-3-carboxamide
CID 17349650
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-(4-methoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010940
(1R,2R,4S)-N-[(Z)-thiophen-2-ylmethylideneamino]bicyclo[2.2.1]heptane-2-carboxamide
CID 5414581
1-(4-methoxybenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011033

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide (CID 126011112) is 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide is O=C(N/N=C\c1cccs1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide?
The InChIKey is DGYYNLKXMKKBEB-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(20-19-13-16-7-4-12-24-16)14-8-10-21(11-9-14)18(23)15-5-2-1-3-6-15/h1-7,12-14H,8-11H2,(H,20,22)/b19-13-.
What are the key properties of 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide?
1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126011112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).