2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone

C17H26N4O2 — CID 11688298

IUPAC2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cnc[nH]1)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C17H26N4O2/c22-16(10-14-4-2-1-3-5-14)20-6-8-21(9-7-20)17(23)11-15-12-18-13-19-15/h12-14H,1-11H2,(H,18,19)
InChIKeyNASZPMYJXRVHRQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.59
Rot. Bonds4

About 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone (PubChem CID 11688298) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone
PubChem CID11688298
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cnc[nH]1)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C17H26N4O2/c22-16(10-14-4-2-1-3-5-14)20-6-8-21(9-7-20)17(23)11-15-12-18-13-19-15/h12-14H,1-11H2,(H,18,19)
InChIKeyNASZPMYJXRVHRQ-UHFFFAOYSA-N
XLogP1.59
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone (CID 11688298) is 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone is O=C(Cc1cnc[nH]1)N1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is NASZPMYJXRVHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16(10-14-4-2-1-3-5-14)20-6-8-21(9-7-20)17(23)11-15-12-18-13-19-15/h12-14H,1-11H2,(H,18,19).
What are the key properties of 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 11688298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).