1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide

C17H28N4O3 — CID 72880226

IUPAC1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)N(C)CCCc2nccn2C)CC1
InChIInChI=1S/C17H28N4O3/c1-19-12-8-18-15(19)5-4-9-20(2)17(23)14-6-10-21(11-7-14)16(22)13-24-3/h8,12,14H,4-7,9-11,13H2,1-3H3
InChIKeySDGCZSPRGRHFCY-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.70
Rot. Bonds7

About 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide

1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 72880226) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
PubChem CID72880226
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)N(C)CCCc2nccn2C)CC1
InChIInChI=1S/C17H28N4O3/c1-19-12-8-18-15(19)5-4-9-20(2)17(23)14-6-10-21(11-7-14)16(22)13-24-3/h8,12,14H,4-7,9-11,13H2,1-3H3
InChIKeySDGCZSPRGRHFCY-UHFFFAOYSA-N
XLogP0.70
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide (CID 72880226) is 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)N(C)CCCc2nccn2C)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is SDGCZSPRGRHFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-19-12-8-18-15(19)5-4-9-20(2)17(23)14-6-10-21(11-7-14)16(22)13-24-3/h8,12,14H,4-7,9-11,13H2,1-3H3.
What are the key properties of 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72880226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).