piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone

C13H25N3O — CID 113498498

IUPACpiperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)N2CCCCC2)CC(C)N1C
InChIInChI=1S/C13H25N3O/c1-11-9-16(10-12(2)14(11)3)13(17)15-7-5-4-6-8-15/h11-12H,4-10H2,1-3H3
InChIKeyGWIJLBHIEYRZCB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.62
Rot. Bonds

About piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone

piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 113498498) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID113498498
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Namepiperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)N2CCCCC2)CC(C)N1C
InChIInChI=1S/C13H25N3O/c1-11-9-16(10-12(2)14(11)3)13(17)15-7-5-4-6-8-15/h11-12H,4-10H2,1-3H3
InChIKeyGWIJLBHIEYRZCB-UHFFFAOYSA-N
XLogP1.62
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 113498498) is piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)N2CCCCC2)CC(C)N1C.
What is the InChIKey of piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is GWIJLBHIEYRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-9-16(10-12(2)14(11)3)13(17)15-7-5-4-6-8-15/h11-12H,4-10H2,1-3H3.
What are the key properties of piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 113498498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).