4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one

C12H23N3O — CID 155150634

IUPAC4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one
SMILESCN1CCC(CN2CCN(C)CC2=O)CC1
InChIInChI=1S/C12H23N3O/c1-13-5-3-11(4-6-13)9-15-8-7-14(2)10-12(15)16/h11H,3-10H2,1-2H3
InChIKeyNCNLEFGCPFJHQX-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.10
Rot. Bonds2

About 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one

4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one (PubChem CID 155150634) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one
PubChem CID155150634
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one
SMILESCN1CCC(CN2CCN(C)CC2=O)CC1
InChIInChI=1S/C12H23N3O/c1-13-5-3-11(4-6-13)9-15-8-7-14(2)10-12(15)16/h11H,3-10H2,1-2H3
InChIKeyNCNLEFGCPFJHQX-UHFFFAOYSA-N
XLogP0.10
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one?
The IUPAC name of 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one (CID 155150634) is 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one is CN1CCC(CN2CCN(C)CC2=O)CC1.
What is the InChIKey of 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one?
The InChIKey is NCNLEFGCPFJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-13-5-3-11(4-6-13)9-15-8-7-14(2)10-12(15)16/h11H,3-10H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one?
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 155150634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).