1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone

C12H23N3O — CID 16769652

IUPAC1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESCC1CCCCN1C(=O)CN1CCNCC1
InChIInChI=1S/C12H23N3O/c1-11-4-2-3-7-15(11)12(16)10-14-8-5-13-6-9-14/h11,13H,2-10H2,1H3
InChIKeyWYOMOFDNRURLDD-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone

1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone (PubChem CID 16769652) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
PubChem CID16769652
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESCC1CCCCN1C(=O)CN1CCNCC1
InChIInChI=1S/C12H23N3O/c1-11-4-2-3-7-15(11)12(16)10-14-8-5-13-6-9-14/h11,13H,2-10H2,1H3
InChIKeyWYOMOFDNRURLDD-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone (CID 16769652) is 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone is CC1CCCCN1C(=O)CN1CCNCC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The InChIKey is WYOMOFDNRURLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11-4-2-3-7-15(11)12(16)10-14-8-5-13-6-9-14/h11,13H,2-10H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 16769652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).