3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one

C13H25N3O — CID 63596839

IUPAC3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1CCC1CCCNC1
InChIInChI=1S/C13H25N3O/c1-13(2)12(17)15-7-9-16(13)8-5-11-4-3-6-14-10-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyLKOIHNQFGQLSNK-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds3

About 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one

3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one (PubChem CID 63596839) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one
PubChem CID63596839
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1CCC1CCCNC1
InChIInChI=1S/C13H25N3O/c1-13(2)12(17)15-7-9-16(13)8-5-11-4-3-6-14-10-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyLKOIHNQFGQLSNK-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
CID 63596626
1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 63624009
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-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione
CID 107390973
4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid
CID 63607322
1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 106640651
3-methyl-1-(2-piperidin-3-ylethyl)-4-propylimidazolidin-2-one
CID 116982765
4-[2-(4-aminophenyl)ethyl]-3,3-dimethylpiperazin-2-one
CID 63595398
4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62355656
3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 114082034
4-[2-(2-aminophenyl)ethyl]-3,3-dimethylpiperazin-2-one
CID 63597166

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one (CID 63596839) is 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one is CC1(C)C(=O)NCCN1CCC1CCCNC1.
What is the InChIKey of 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one?
The InChIKey is LKOIHNQFGQLSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2)12(17)15-7-9-16(13)8-5-11-4-3-6-14-10-11/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one?
3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one has a molecular weight of 239.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one is sourced from PubChem (CID 63596839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).