(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone

C13H25N3O — CID 55176815

IUPAC(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCC1(C(=O)N2CCN(C)CC2)CCNCC1
InChIInChI=1S/C13H25N3O/c1-3-13(4-6-14-7-5-13)12(17)16-10-8-15(2)9-11-16/h14H,3-11H2,1-2H3
InChIKeyFZRBRLBCHJZGMN-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds2

About (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone

(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 55176815) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID55176815
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCC1(C(=O)N2CCN(C)CC2)CCNCC1
InChIInChI=1S/C13H25N3O/c1-3-13(4-6-14-7-5-13)12(17)16-10-8-15(2)9-11-16/h14H,3-11H2,1-2H3
InChIKeyFZRBRLBCHJZGMN-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 55176815) is (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone is CCC1(C(=O)N2CCN(C)CC2)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FZRBRLBCHJZGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-13(4-6-14-7-5-13)12(17)16-10-8-15(2)9-11-16/h14H,3-11H2,1-2H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 55176815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).