2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

C18H34N4O — CID 22321803

IUPAC2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)CNC3CCCCC3)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)18(23)15-19-16-5-3-2-4-6-16/h16-17,19H,2-15H2,1H3
InChIKeyXROOGPMYYKBVLV-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.15
Rot. Bonds4

About 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 22321803) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
PubChem CID22321803
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)CNC3CCCCC3)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)18(23)15-19-16-5-3-2-4-6-16/h16-17,19H,2-15H2,1H3
InChIKeyXROOGPMYYKBVLV-UHFFFAOYSA-N
XLogP1.15
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (CID 22321803) is 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is CN1CCC(N2CCN(C(=O)CNC3CCCCC3)CC2)CC1.
What is the InChIKey of 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is XROOGPMYYKBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-20-9-7-17(8-10-20)21-11-13-22(14-12-21)18(23)15-19-16-5-3-2-4-6-16/h16-17,19H,2-15H2,1H3.
What are the key properties of 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 322.50 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 22321803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).