2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H32N6O2 — CID 110047164

IUPAC2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CCN(/C(=N/CC(=O)N(C)C)NCC2CCCO2)CC1n1ccnc1
InChIInChI=1S/C19H32N6O2/c1-15-6-8-24(13-17(15)25-9-7-20-14-25)19(22-12-18(26)23(2)3)21-11-16-5-4-10-27-16/h7,9,14-17H,4-6,8,10-13H2,1-3H3,(H,21,22)
InChIKeyGHBLCVUHUZTZRF-UHFFFAOYSA-N
MW376.51 g/mol
LogP0.98
Rot. Bonds5

About 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110047164) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110047164
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CCN(/C(=N/CC(=O)N(C)C)NCC2CCCO2)CC1n1ccnc1
InChIInChI=1S/C19H32N6O2/c1-15-6-8-24(13-17(15)25-9-7-20-14-25)19(22-12-18(26)23(2)3)21-11-16-5-4-10-27-16/h7,9,14-17H,4-6,8,10-13H2,1-3H3,(H,21,22)
InChIKeyGHBLCVUHUZTZRF-UHFFFAOYSA-N
XLogP0.98
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[(3,4-dimethylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049451
2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047143
2-[[[3-(diethylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042172
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110040694
N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110044338
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-pyrrolidin-1-ylmethylidene]amino]acetamide;hydroiodide
CID 111546444
2-[[(2-ethylthiomorpholin-4-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043767
ethyl 4-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111539222
N-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N'-(oxan-2-ylmethyl)piperidine-1-carboximidamide
CID 110059638
N,N-dimethyl-2-[[[4-(2-methylpropyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111650247
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110041851
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110042044

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110047164) is 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is CC1CCN(/C(=N/CC(=O)N(C)C)NCC2CCCO2)CC1n1ccnc1.
What is the InChIKey of 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is GHBLCVUHUZTZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-15-6-8-24(13-17(15)25-9-7-20-14-25)19(22-12-18(26)23(2)3)21-11-16-5-4-10-27-16/h7,9,14-17H,4-6,8,10-13H2,1-3H3,(H,21,22).
What are the key properties of 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 376.51 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-imidazol-1-yl-4-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110047164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).