2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

C16H26N4O — CID 53193396

IUPAC2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccnc1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C16H26N4O/c21-16(13-19-12-7-17-14-19)20-10-2-1-5-15(20)6-11-18-8-3-4-9-18/h7,12,14-15H,1-6,8-11,13H2
InChIKeySDVPARPJEFBZLD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds5

About 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 53193396) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID53193396
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccnc1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C16H26N4O/c21-16(13-19-12-7-17-14-19)20-10-2-1-5-15(20)6-11-18-8-3-4-9-18/h7,12,14-15H,1-6,8-11,13H2
InChIKeySDVPARPJEFBZLD-UHFFFAOYSA-N
XLogP1.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (CID 53193396) is 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is O=C(Cn1ccnc1)N1CCCCC1CCN1CCCC1.
What is the InChIKey of 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is SDVPARPJEFBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-16(13-19-12-7-17-14-19)20-10-2-1-5-15(20)6-11-18-8-3-4-9-18/h7,12,14-15H,1-6,8-11,13H2.
What are the key properties of 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53193396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).