2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide

C17H26N4O2 — CID 111047854

IUPAC2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(C/N=C(\N)N2CCCCC2)c1
InChIInChI=1S/C17H26N4O2/c1-20(2)16(22)13-23-15-8-6-7-14(11-15)12-19-17(18)21-9-4-3-5-10-21/h6-8,11H,3-5,9-10,12-13H2,1-2H3,(H2,18,19)
InChIKeyJWAIVKYMCFCXMQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.45
Rot. Bonds5

About 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide

2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 111047854) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID111047854
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(C/N=C(\N)N2CCCCC2)c1
InChIInChI=1S/C17H26N4O2/c1-20(2)16(22)13-23-15-8-6-7-14(11-15)12-19-17(18)21-9-4-3-5-10-21/h6-8,11H,3-5,9-10,12-13H2,1-2H3,(H2,18,19)
InChIKeyJWAIVKYMCFCXMQ-UHFFFAOYSA-N
XLogP1.45
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048101
N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111093347
2-[3-[[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111744542
ethyl 4-[[N'-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328068
2-[3-[[[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(ethylamino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 109444378
N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111047873
N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111051112
2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111047762
2-[3-[[[ethylamino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 111205915
2-[3-[[[[benzyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 110950318
2-[3-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111738498

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide (CID 111047854) is 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cccc(C/N=C(\N)N2CCCCC2)c1.
What is the InChIKey of 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is JWAIVKYMCFCXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(2)16(22)13-23-15-8-6-7-14(11-15)12-19-17(18)21-9-4-3-5-10-21/h6-8,11H,3-5,9-10,12-13H2,1-2H3,(H2,18,19).
What are the key properties of 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide?
2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 318.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 111047854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).