3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one

C14H27N3O — CID 114015237

IUPAC3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
SMILESCN1CCCCC1CCN1CCNC(C)(C)C1=O
InChIInChI=1S/C14H27N3O/c1-14(2)13(18)17(11-8-15-14)10-7-12-6-4-5-9-16(12)3/h12,15H,4-11H2,1-3H3
InChIKeyRNTIGRCMVRLTNN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds3

About 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one

3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one (PubChem CID 114015237) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
PubChem CID114015237
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
SMILESCN1CCCCC1CCN1CCNC(C)(C)C1=O
InChIInChI=1S/C14H27N3O/c1-14(2)13(18)17(11-8-15-14)10-7-12-6-4-5-9-16(12)3/h12,15H,4-11H2,1-3H3
InChIKeyRNTIGRCMVRLTNN-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 97027345
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one
CID 115101940
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one
CID 104566176
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione
CID 107912148
1-methyl-2-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
CID 117271649
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one
CID 107912283
5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913277
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one (CID 114015237) is 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one is CN1CCCCC1CCN1CCNC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one?
The InChIKey is RNTIGRCMVRLTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2)13(18)17(11-8-15-14)10-7-12-6-4-5-9-16(12)3/h12,15H,4-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one?
3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one has a molecular weight of 253.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 114015237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).