N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide

C17H19N3OS — CID 3516684

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H19N3OS/c21-17(16-7-4-12-22-16)19-18-15-8-10-20(11-9-15)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,19,21)
InChIKeyNBAZMNSNHMEJGD-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.13
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide

N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide (PubChem CID 3516684) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
PubChem CID3516684
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H19N3OS/c21-17(16-7-4-12-22-16)19-18-15-8-10-20(11-9-15)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,19,21)
InChIKeyNBAZMNSNHMEJGD-UHFFFAOYSA-N
XLogP3.13
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.13
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-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-(cyclohexylideneamino)thiophene-2-carboxamide
CID 969438
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8982682
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide
CID 4923007
1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine
CID 86242127
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 5058858

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide (CID 3516684) is N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide?
The InChIKey is NBAZMNSNHMEJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-17(16-7-4-12-22-16)19-18-15-8-10-20(11-9-15)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,19,21).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide?
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide is sourced from PubChem (CID 3516684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).