ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one

C44H91FN4O5 — CID 158654660

IUPACethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC.CC(C)(F)C(=O)N1CCOCC1.CC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CCC(C)C.CCC(C)C.CN1CCOCC1
InChIInChI=1S/C10H19NO.C9H17NO.C8H14FNO2.C5H11NO.2C5H12.C2H6/c1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-5-3-4-6-10;1-8(2,9)7(11)10-3-5-12-6-4-10;1-6-2-4-7-5-3-6;2*1-4-5(2)3;1-2/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2*5H,4H2,1-3H3;1-2H3
InChIKeyIBZGLTRRRVANCV-UHFFFAOYSA-N
MW775.23 g/mol
LogP9.37
Rot. Bonds7

About ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one

ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 158654660) has the molecular formula C44H91FN4O5 and a molecular weight of 775.23 g/mol. Its IUPAC name is ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Nameethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID158654660
Molecular FormulaC44H91FN4O5
Molecular Weight775.23 g/mol
Exact Mass774.70
IUPAC Nameethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC.CC(C)(F)C(=O)N1CCOCC1.CC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CCC(C)C.CCC(C)C.CN1CCOCC1
InChIInChI=1S/C10H19NO.C9H17NO.C8H14FNO2.C5H11NO.2C5H12.C2H6/c1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-5-3-4-6-10;1-8(2,9)7(11)10-3-5-12-6-4-10;1-6-2-4-7-5-3-6;2*1-4-5(2)3;1-2/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2*5H,4H2,1-3H3;1-2H3
InChIKeyIBZGLTRRRVANCV-UHFFFAOYSA-N
XLogP9.37
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.23
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

Bis(3-methyl-1-morpholin-4-ylbutan-1-one);bis(3-methyl-1-piperidin-1-ylbutan-1-one);bis(3-methyl-1-pyrrolidin-1-ylbutan-1-one)
CID 157797927
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158381115
3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one;N,N,3-trimethylbutanamide
CID 160120007
4-Methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidin-2-one
CID 160285273
2,2-Dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161082798
2-Methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 162226913
1-({1-[2-(1-Ethyl-4-piperidyl)acetyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone
CID 137962319

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 158654660) is ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one is CC.CC(C)(F)C(=O)N1CCOCC1.CC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CCC(C)C.CCC(C)C.CN1CCOCC1.
What is the InChIKey of ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is IBZGLTRRRVANCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H17NO.C8H14FNO2.C5H11NO.2C5H12.C2H6/c1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-5-3-4-6-10;1-8(2,9)7(11)10-3-5-12-6-4-10;1-6-2-4-7-5-3-6;2*1-4-5(2)3;1-2/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2*5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one?
ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 775.23 g/mol, XLogP of 9.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-methyl-1-morpholin-4-ylpropan-1-one;bis(2-methylbutane);4-methylmorpholine;3-methyl-1-piperidin-1-ylbutan-1-one;3-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 158654660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).