N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide

C16H19N3OS — CID 4155439

IUPACN-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide
SMILESCCN1CCC(=NNC(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C16H19N3OS/c1-2-19-9-7-12(8-10-19)17-18-16(20)14-11-21-15-6-4-3-5-13(14)15/h3-6,11H,2,7-10H2,1H3,(H,18,20)
InChIKeyRMVMOCFIXRSDSC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.10
Rot. Bonds3

About N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide

N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide (PubChem CID 4155439) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide
PubChem CID4155439
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide
SMILESCCN1CCC(=NNC(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C16H19N3OS/c1-2-19-9-7-12(8-10-19)17-18-16(20)14-11-21-15-6-4-3-5-13(14)15/h3-6,11H,2,7-10H2,1H3,(H,18,20)
InChIKeyRMVMOCFIXRSDSC-UHFFFAOYSA-N
XLogP3.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.10
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

N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide
CID 122152007
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide
CID 115877819
N-(1-bromo-2-methylpropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114308191
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 115884348
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide (CID 4155439) is N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide is CCN1CCC(=NNC(=O)c2csc3ccccc23)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide?
The InChIKey is RMVMOCFIXRSDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-19-9-7-12(8-10-19)17-18-16(20)14-11-21-15-6-4-3-5-13(14)15/h3-6,11H,2,7-10H2,1H3,(H,18,20).
What are the key properties of N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide?
N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 4155439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).