4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one

C14H25N3O2 — CID 63600754

IUPAC4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CC1CCCC(N)C1
InChIInChI=1S/C14H25N3O2/c1-14(2)13(19)16-6-7-17(14)12(18)9-10-4-3-5-11(15)8-10/h10-11H,3-9,15H2,1-2H3,(H,16,19)
InChIKeyVYQDWNZILIFVKP-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.63
Rot. Bonds2

About 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one

4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63600754) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID63600754
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CC1CCCC(N)C1
InChIInChI=1S/C14H25N3O2/c1-14(2)13(19)16-6-7-17(14)12(18)9-10-4-3-5-11(15)8-10/h10-11H,3-9,15H2,1-2H3,(H,16,19)
InChIKeyVYQDWNZILIFVKP-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600409
4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069032
4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490167
4-[2-[(4S)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490168
4-[3-(aminomethyl)cyclohexanecarbonyl]-3,3-dimethylpiperazin-2-one
CID 63601615
4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one
CID 63362379
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one
CID 63606898
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one (CID 63600754) is 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)CC1CCCC(N)C1.
What is the InChIKey of 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is VYQDWNZILIFVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2)13(19)16-6-7-17(14)12(18)9-10-4-3-5-11(15)8-10/h10-11H,3-9,15H2,1-2H3,(H,16,19).
What are the key properties of 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63600754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).