methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one

C25H51N3O3 — CID 158630764

IUPACmethane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
SMILESC.C.CCC(=O)N1CCCC1.CCC(=O)N1CCCCC1.CCC(=O)N1CCCCC1
InChIInChI=1S/2C8H15NO.C7H13NO.2CH4/c2*1-2-8(10)9-6-4-3-5-7-9;1-2-7(9)8-5-3-4-6-8;;/h2*2-7H2,1H3;2-6H2,1H3;2*1H4
InChIKeyHZDYATFZRFSEGO-UHFFFAOYSA-N
MW441.70 g/mol
LogP5.11
Rot. Bonds3

About methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one

methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one (PubChem CID 158630764) has the molecular formula C25H51N3O3 and a molecular weight of 441.70 g/mol. Its IUPAC name is methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Namemethane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
PubChem CID158630764
Molecular FormulaC25H51N3O3
Molecular Weight441.70 g/mol
Exact Mass441.39
IUPAC Namemethane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
SMILESC.C.CCC(=O)N1CCCC1.CCC(=O)N1CCCCC1.CCC(=O)N1CCCCC1
InChIInChI=1S/2C8H15NO.C7H13NO.2CH4/c2*1-2-8(10)9-6-4-3-5-7-9;1-2-7(9)8-5-3-4-6-8;;/h2*2-7H2,1H3;2-6H2,1H3;2*1H4
InChIKeyHZDYATFZRFSEGO-UHFFFAOYSA-N
XLogP5.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.70
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)propan-1-one
CID 3613534
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
1-(4-propanoyl-1,4-diazepan-1-yl)butane-1,3-dione
CID 54916137
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901

Frequently Asked Questions

What is the IUPAC name of methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one (CID 158630764) is methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one is C.C.CCC(=O)N1CCCC1.CCC(=O)N1CCCCC1.CCC(=O)N1CCCCC1.
What is the InChIKey of methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HZDYATFZRFSEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15NO.C7H13NO.2CH4/c2*1-2-8(10)9-6-4-3-5-7-9;1-2-7(9)8-5-3-4-6-8;;/h2*2-7H2,1H3;2-6H2,1H3;2*1H4.
What are the key properties of methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one?
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 441.70 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 158630764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).