2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone

C19H27N3O2 — CID 11587949

IUPAC2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(14-16-6-2-1-3-7-16)21-10-12-22(13-11-21)19(24)15-17-8-4-5-9-20-17/h4-5,8-9,16H,1-3,6-7,10-15H2
InChIKeyMDBAERPOFBXRDP-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.27
Rot. Bonds4

About 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone (PubChem CID 11587949) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone
PubChem CID11587949
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(14-16-6-2-1-3-7-16)21-10-12-22(13-11-21)19(24)15-17-8-4-5-9-20-17/h4-5,8-9,16H,1-3,6-7,10-15H2
InChIKeyMDBAERPOFBXRDP-UHFFFAOYSA-N
XLogP2.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone (CID 11587949) is 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone is O=C(Cc1ccccn1)N1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone?
The InChIKey is MDBAERPOFBXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(14-16-6-2-1-3-7-16)21-10-12-22(13-11-21)19(24)15-17-8-4-5-9-20-17/h4-5,8-9,16H,1-3,6-7,10-15H2.
What are the key properties of 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 11587949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).