2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide

C17H28N4O2 — CID 110082504

IUPAC2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCCc1nccn1C(C)C(=O)N1CCC(CC(=O)N(C)C)CC1
InChIInChI=1S/C17H28N4O2/c1-5-15-18-8-11-21(15)13(2)17(23)20-9-6-14(7-10-20)12-16(22)19(3)4/h8,11,13-14H,5-7,9-10,12H2,1-4H3
InChIKeyHXQJAZKUXSMTCL-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.72
Rot. Bonds5

About 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide

2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide (PubChem CID 110082504) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide
PubChem CID110082504
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCCc1nccn1C(C)C(=O)N1CCC(CC(=O)N(C)C)CC1
InChIInChI=1S/C17H28N4O2/c1-5-15-18-8-11-21(15)13(2)17(23)20-9-6-14(7-10-20)12-16(22)19(3)4/h8,11,13-14H,5-7,9-10,12H2,1-4H3
InChIKeyHXQJAZKUXSMTCL-UHFFFAOYSA-N
XLogP1.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide (CID 110082504) is 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide is CCc1nccn1C(C)C(=O)N1CCC(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide?
The InChIKey is HXQJAZKUXSMTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-15-18-8-11-21(15)13(2)17(23)20-9-6-14(7-10-20)12-16(22)19(3)4/h8,11,13-14H,5-7,9-10,12H2,1-4H3.
What are the key properties of 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide?
2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide has a molecular weight of 320.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 110082504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).