1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide

C16H27N5O2 — CID 91839376

IUPAC1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1nc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)n(C)c1C
InChIInChI=1S/C16H27N5O2/c1-11-12(2)20(5)14(18-11)10-17-15(22)13-6-8-21(9-7-13)16(23)19(3)4/h13H,6-10H2,1-5H3,(H,17,22)
InChIKeyJOGAQFXOCWGHTO-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.05
Rot. Bonds3

About 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 91839376) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID91839376
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1nc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)n(C)c1C
InChIInChI=1S/C16H27N5O2/c1-11-12(2)20(5)14(18-11)10-17-15(22)13-6-8-21(9-7-13)16(23)19(3)4/h13H,6-10H2,1-5H3,(H,17,22)
InChIKeyJOGAQFXOCWGHTO-UHFFFAOYSA-N
XLogP1.05
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

2-(1-Acetylpiperidin-4-YL)-N-[2-(5-methyl-1-propyl-1H-imidazol-2-YL)ethyl]acetamide
CID 91911723
2-(1-acetyl-4-piperidyl)-N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91911725
1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 91923847
2-methyl-1-[(3S)-3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633411
1'-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 29256294
1-acetyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide
CID 141290533
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 154742684
1-acetyl-N-[(1-isobutyl-1H-imidazol-5-yl)methyl]piperidine-4-carboxamide
CID 56756908
4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide
CID 57286965
N-[2-(4,5-dimethyl-2-piperidin-3-ylimidazol-1-yl)ethyl]acetamide
CID 66791491
4-(1,4,5-Trimethyl-1H-imidazol-2-yl)piperidine
CID 82463370
1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone
CID 90729209

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide (CID 91839376) is 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide is Cc1nc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)n(C)c1C.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is JOGAQFXOCWGHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11-12(2)20(5)14(18-11)10-17-15(22)13-6-8-21(9-7-13)16(23)19(3)4/h13H,6-10H2,1-5H3,(H,17,22).
What are the key properties of 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 91839376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).