(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

C88H176N12O7 — CID 159225359

IUPAC(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
SMILESCCC(=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/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/t2*15-;;;;/m10..../s1
InChIKeyKSFHJYLTQPAOJP-SDQYGQRDSA-N
MW1514.45 g/mol
LogP13.48
Rot. Bonds45

About (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

(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 159225359) has the molecular formula C88H176N12O7 and a molecular weight of 1514.45 g/mol. Its IUPAC name is (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 Name(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 CID159225359
Molecular FormulaC88H176N12O7
Molecular Weight1514.45 g/mol
Exact Mass1513.38
IUPAC Name(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
SMILESCCC(=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/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/t2*15-;;;;/m10..../s1
InChIKeyKSFHJYLTQPAOJP-SDQYGQRDSA-N
XLogP13.48
TPSA150.53 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds45
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.45
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze (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 (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 (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 159225359) is (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 (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 (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 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 (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 KSFHJYLTQPAOJP-SDQYGQRDSA-N. The full InChI is InChI=1S/2C16H32N2O.C15H30N2O2.2C14H28N2O.C13H26N2O/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/t2*15-;;;;/m10..../s1.
What are the key properties of (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?
(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 1514.45 g/mol, XLogP of 13.48, 45 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (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 159225359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).