4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one

C13H23N3O2 — CID 64692911

IUPAC4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CC2CCC(N)CC2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-15-6-7-16(9-13(15)18)12(17)8-10-2-4-11(14)5-3-10/h10-11H,2-9,14H2,1H3
InChIKeySVIOARFBJLWGLF-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds2

About 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one

4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one (PubChem CID 64692911) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one
PubChem CID64692911
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CC2CCC(N)CC2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-15-6-7-16(9-13(15)18)12(17)8-10-2-4-11(14)5-3-10/h10-11H,2-9,14H2,1H3
InChIKeySVIOARFBJLWGLF-UHFFFAOYSA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(aminomethyl)cyclohexyl]acetyl]-1-methyl-1,4-diazepan-2-one
CID 102892849
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-1-methylpiperazin-2-one
CID 79614970
1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
1-(4-methyl-3-oxopiperazin-1-yl)butane-1,3-dione
CID 64680135
1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate
CID 110476247
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
CID 64682222
2-(4-aminocyclohexyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63020386
4-[(1S,3R)-3-aminocyclohexanecarbonyl]-1-methylpiperazin-2-one
CID 124509944

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one (CID 64692911) is 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)CC2CCC(N)CC2)CC1=O.
What is the InChIKey of 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one?
The InChIKey is SVIOARFBJLWGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-15-6-7-16(9-13(15)18)12(17)8-10-2-4-11(14)5-3-10/h10-11H,2-9,14H2,1H3.
What are the key properties of 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one?
4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminocyclohexyl)acetyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64692911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).