methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)

C30H73N3O3 — CID 158498074

IUPACmethane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)
SMILESC.C.C.C.C.C.C.C.CC(=O)C1CCCNC1.CC(=O)C1CCCNC1.CC(=O)C1CNCC(C)C1
InChIInChI=1S/C8H15NO.2C7H13NO.8CH4/c1-6-3-8(7(2)10)5-9-4-6;2*1-6(9)7-3-2-4-8-5-7;;;;;;;;/h6,8-9H,3-5H2,1-2H3;2*7-8H,2-5H2,1H3;8*1H4
InChIKeyHJNRYBUPTTXZPF-UHFFFAOYSA-N
MW523.93 g/mol
LogP7.06
Rot. Bonds3

About methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)

methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone) (PubChem CID 158498074) has the molecular formula C30H73N3O3 and a molecular weight of 523.93 g/mol. Its IUPAC name is methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone).

Molecular Properties

Compound Namemethane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)
PubChem CID158498074
Molecular FormulaC30H73N3O3
Molecular Weight523.93 g/mol
Exact Mass523.57
IUPAC Namemethane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)
SMILESC.C.C.C.C.C.C.C.CC(=O)C1CCCNC1.CC(=O)C1CCCNC1.CC(=O)C1CNCC(C)C1
InChIInChI=1S/C8H15NO.2C7H13NO.8CH4/c1-6-3-8(7(2)10)5-9-4-6;2*1-6(9)7-3-2-4-8-5-7;;;;;;;;/h6,8-9H,3-5H2,1-2H3;2*7-8H,2-5H2,1H3;8*1H4
InChIKeyHJNRYBUPTTXZPF-UHFFFAOYSA-N
XLogP7.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.93
LogP ≤ 57.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone) 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 methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)?
The IUPAC name of methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone) (CID 158498074) is methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone).
What is the SMILES notation for methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)?
The canonical SMILES for methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone) is C.C.C.C.C.C.C.C.CC(=O)C1CCCNC1.CC(=O)C1CCCNC1.CC(=O)C1CNCC(C)C1.
What is the InChIKey of methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)?
The InChIKey is HJNRYBUPTTXZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.2C7H13NO.8CH4/c1-6-3-8(7(2)10)5-9-4-6;2*1-6(9)7-3-2-4-8-5-7;;;;;;;;/h6,8-9H,3-5H2,1-2H3;2*7-8H,2-5H2,1H3;8*1H4.
What are the key properties of methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone)?
methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone) has a molecular weight of 523.93 g/mol, XLogP of 7.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(5-methylpiperidin-3-yl)ethanone;bis(1-piperidin-3-ylethanone) is sourced from PubChem (CID 158498074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).