3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C15H27N3O2 — CID 64966902

IUPAC3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CC2CCN(C)CC2)C1=O
InChIInChI=1S/C15H27N3O2/c1-10(2)13-14(19)16-11(3)15(20)18(13)9-12-5-7-17(4)8-6-12/h10-13H,5-9H2,1-4H3,(H,16,19)
InChIKeyFBTORZKHPQRVAX-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.70
Rot. Bonds3

About 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64966902) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64966902
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CC2CCN(C)CC2)C1=O
InChIInChI=1S/C15H27N3O2/c1-10(2)13-14(19)16-11(3)15(20)18(13)9-12-5-7-17(4)8-6-12/h10-13H,5-9H2,1-4H3,(H,16,19)
InChIKeyFBTORZKHPQRVAX-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
1-(2-fluoroethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 80696895
3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970004
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 66394517
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64972282
1-(2-cyclopentyloxyethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64971200
1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 113383064
3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903230
3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290691
3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64873297
1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 106440619

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64966902) is 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(CC2CCN(C)CC2)C1=O.
What is the InChIKey of 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is FBTORZKHPQRVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)13-14(19)16-11(3)15(20)18(13)9-12-5-7-17(4)8-6-12/h10-13H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64966902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).