2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide

C18H28N4O — CID 111034583

IUPAC2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H28N4O/c1-18(2,3)21-16(23)14-19-17(22-12-8-5-9-13-22)20-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyBYUVWFQHDPGVIL-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.86
Rot. Bonds3

About 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide

2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide (PubChem CID 111034583) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
PubChem CID111034583
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H28N4O/c1-18(2,3)21-16(23)14-19-17(22-12-8-5-9-13-22)20-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyBYUVWFQHDPGVIL-UHFFFAOYSA-N
XLogP2.86
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072594
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035918
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111152485
N-tert-butyl-2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]acetamide
CID 111184572
propan-2-yl 3-[[anilino(piperidin-1-yl)methylidene]amino]propanoate
CID 111037118
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786

Frequently Asked Questions

What is the IUPAC name of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide (CID 111034583) is 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)C/N=C(/Nc1ccccc1)N1CCCCC1.
What is the InChIKey of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide?
The InChIKey is BYUVWFQHDPGVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-18(2,3)21-16(23)14-19-17(22-12-8-5-9-13-22)20-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide?
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide has a molecular weight of 316.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide is sourced from PubChem (CID 111034583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).