4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one

C12H21N3O2 — CID 64693122

IUPAC4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)C2CCCCC2N)CC1=O
InChIInChI=1S/C12H21N3O2/c1-14-6-7-15(8-11(14)16)12(17)9-4-2-3-5-10(9)13/h9-10H,2-8,13H2,1H3
InChIKeyDZIHEYUODCAOMY-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds1

About 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one

4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one (PubChem CID 64693122) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one
PubChem CID64693122
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)C2CCCCC2N)CC1=O
InChIInChI=1S/C12H21N3O2/c1-14-6-7-15(8-11(14)16)12(17)9-4-2-3-5-10(9)13/h9-10H,2-8,13H2,1H3
InChIKeyDZIHEYUODCAOMY-UHFFFAOYSA-N
XLogP-0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one (CID 64693122) is 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)C2CCCCC2N)CC1=O.
What is the InChIKey of 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one?
The InChIKey is DZIHEYUODCAOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-6-7-15(8-11(14)16)12(17)9-4-2-3-5-10(9)13/h9-10H,2-8,13H2,1H3.
What are the key properties of 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one?
4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64693122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).