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

C17H28N4O — CID 53193458

IUPAC2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccnc1)N1CCCCC1CCN1CCCCC1
InChIInChI=1S/C17H28N4O/c22-17(14-20-13-8-18-15-20)21-11-5-2-6-16(21)7-12-19-9-3-1-4-10-19/h8,13,15-16H,1-7,9-12,14H2
InChIKeyULRGEUZCODLILD-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.14
Rot. Bonds5

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

2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 53193458) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID53193458
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccnc1)N1CCCCC1CCN1CCCCC1
InChIInChI=1S/C17H28N4O/c22-17(14-20-13-8-18-15-20)21-11-5-2-6-16(21)7-12-19-9-3-1-4-10-19/h8,13,15-16H,1-7,9-12,14H2
InChIKeyULRGEUZCODLILD-UHFFFAOYSA-N
XLogP2.14
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone (CID 53193458) is 2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone is O=C(Cn1ccnc1)N1CCCCC1CCN1CCCCC1.
What is the InChIKey of 2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is ULRGEUZCODLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c22-17(14-20-13-8-18-15-20)21-11-5-2-6-16(21)7-12-19-9-3-1-4-10-19/h8,13,15-16H,1-7,9-12,14H2.
What are the key properties of 2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
2-imidazol-1-yl-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 304.44 g/mol, XLogP of 2.14, 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-piperidin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53193458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).