methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one

C89H180N12O7 — CID 157204485

IUPACmethane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one
SMILESC.CCC(=O)CCCCN1CCN(C(C)C)CC1.CCC(=O)CCCN1CCN(C(C)C)CC1.CCC(=O)CCCOCCN1CCN(C(C)C)CC1.CCCC(=O)CCCN1CCN(C(C)C)CC1.CCC[C@@H](C)C(=O)CCCN1CCN(C(C)C)CC1.CCC[C@H](C)C(=O)CCCN1CCN(C(C)C)CC1
InChIInChI=1S/2C16H32N2O.C15H30N2O2.2C14H28N2O.C13H26N2O.CH4/c2*1-5-7-15(4)16(19)8-6-9-17-10-12-18(13-11-17)14(2)3;1-4-15(18)6-5-12-19-13-11-16-7-9-17(10-8-16)14(2)3;1-4-14(17)7-5-6-8-15-9-11-16(12-10-15)13(2)3;1-4-6-14(17)7-5-8-15-9-11-16(12-10-15)13(2)3;1-4-13(16)6-5-7-14-8-10-15(11-9-14)12(2)3;/h2*14-15H,5-13H2,1-4H3;14H,4-13H2,1-3H3;2*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;1H4/t2*15-;;;;;/m10...../s1
InChIKeyAREOOQGEDWIJSL-SLVCNDRJSA-N
MW1530.50 g/mol
LogP14.12
Rot. Bonds45

About methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one

methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one (PubChem CID 157204485) has the molecular formula C89H180N12O7 and a molecular weight of 1530.50 g/mol. Its IUPAC name is methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one.

Molecular Properties

Compound Namemethane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one
PubChem CID157204485
Molecular FormulaC89H180N12O7
Molecular Weight1530.50 g/mol
Exact Mass1529.41
IUPAC Namemethane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one
SMILESC.CCC(=O)CCCCN1CCN(C(C)C)CC1.CCC(=O)CCCN1CCN(C(C)C)CC1.CCC(=O)CCCOCCN1CCN(C(C)C)CC1.CCCC(=O)CCCN1CCN(C(C)C)CC1.CCC[C@@H](C)C(=O)CCCN1CCN(C(C)C)CC1.CCC[C@H](C)C(=O)CCCN1CCN(C(C)C)CC1
InChIInChI=1S/2C16H32N2O.C15H30N2O2.2C14H28N2O.C13H26N2O.CH4/c2*1-5-7-15(4)16(19)8-6-9-17-10-12-18(13-11-17)14(2)3;1-4-15(18)6-5-12-19-13-11-16-7-9-17(10-8-16)14(2)3;1-4-14(17)7-5-6-8-15-9-11-16(12-10-15)13(2)3;1-4-6-14(17)7-5-8-15-9-11-16(12-10-15)13(2)3;1-4-13(16)6-5-7-14-8-10-15(11-9-14)12(2)3;/h2*14-15H,5-13H2,1-4H3;14H,4-13H2,1-3H3;2*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;1H4/t2*15-;;;;;/m10...../s1
InChIKeyAREOOQGEDWIJSL-SLVCNDRJSA-N
XLogP14.12
TPSA150.53 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds45
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001530.50
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one 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;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one?
The IUPAC name of methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one (CID 157204485) is methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one.
What is the SMILES notation for methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one?
The canonical SMILES for methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one is C.CCC(=O)CCCCN1CCN(C(C)C)CC1.CCC(=O)CCCN1CCN(C(C)C)CC1.CCC(=O)CCCOCCN1CCN(C(C)C)CC1.CCCC(=O)CCCN1CCN(C(C)C)CC1.CCC[C@@H](C)C(=O)CCCN1CCN(C(C)C)CC1.CCC[C@H](C)C(=O)CCCN1CCN(C(C)C)CC1.
What is the InChIKey of methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one?
The InChIKey is AREOOQGEDWIJSL-SLVCNDRJSA-N. The full InChI is InChI=1S/2C16H32N2O.C15H30N2O2.2C14H28N2O.C13H26N2O.CH4/c2*1-5-7-15(4)16(19)8-6-9-17-10-12-18(13-11-17)14(2)3;1-4-15(18)6-5-12-19-13-11-16-7-9-17(10-8-16)14(2)3;1-4-14(17)7-5-6-8-15-9-11-16(12-10-15)13(2)3;1-4-6-14(17)7-5-8-15-9-11-16(12-10-15)13(2)3;1-4-13(16)6-5-7-14-8-10-15(11-9-14)12(2)3;/h2*14-15H,5-13H2,1-4H3;14H,4-13H2,1-3H3;2*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;1H4/t2*15-;;;;;/m10...../s1.
What are the key properties of methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one?
methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one has a molecular weight of 1530.50 g/mol, XLogP of 14.12, 45 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(5S)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;(5R)-5-methyl-1-(4-propan-2-ylpiperazin-1-yl)octan-4-one;6-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]hexan-3-one;1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one;7-(4-propan-2-ylpiperazin-1-yl)heptan-3-one;6-(4-propan-2-ylpiperazin-1-yl)hexan-3-one is sourced from PubChem (CID 157204485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).