3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione

C25H43N3O4 — CID 145076481

IUPAC3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2CCC(COCNCCCCCC(=O)N3CCCCC3)CC2)C1=O
InChIInChI=1S/C25H43N3O4/c1-20-16-24(30)28(25(20)31)17-21-9-11-22(12-10-21)18-32-19-26-13-5-2-4-8-23(29)27-14-6-3-7-15-27/h20-22,26H,2-19H2,1H3
InChIKeyJCHDQSHFZSVOFE-UHFFFAOYSA-N
MW449.64 g/mol
LogP3.32
Rot. Bonds12

About 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione

3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione (PubChem CID 145076481) has the molecular formula C25H43N3O4 and a molecular weight of 449.64 g/mol. Its IUPAC name is 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione
PubChem CID145076481
Molecular FormulaC25H43N3O4
Molecular Weight449.64 g/mol
Exact Mass449.33
IUPAC Name3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2CCC(COCNCCCCCC(=O)N3CCCCC3)CC2)C1=O
InChIInChI=1S/C25H43N3O4/c1-20-16-24(30)28(25(20)31)17-21-9-11-22(12-10-21)18-32-19-26-13-5-2-4-8-23(29)27-14-6-3-7-15-27/h20-22,26H,2-19H2,1H3
InChIKeyJCHDQSHFZSVOFE-UHFFFAOYSA-N
XLogP3.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

ethane;molecular hydrogen;1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione
CID 145076823
ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen
CID 145076822
1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
CID 165403609
N-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]nitrous amide
CID 145076586
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
(3S)-3-methyl-1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 134510381
1-[(4-acetylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione;4-methyl-2-(5-oxohexyl)cyclopentane-1,3-dione
CID 159894172
4-[(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-oxo-6-(3-propan-2-ylpyrrolidin-1-yl)hexyl]cyclohexane-1-carboxamide
CID 145076473
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115585636
1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
CID 104751309
1-[2-[2-[2-[2-[3-(4-iodopiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 145076750

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione (CID 145076481) is 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione is CC1CC(=O)N(CC2CCC(COCNCCCCCC(=O)N3CCCCC3)CC2)C1=O.
What is the InChIKey of 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is JCHDQSHFZSVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O4/c1-20-16-24(30)28(25(20)31)17-21-9-11-22(12-10-21)18-32-19-26-13-5-2-4-8-23(29)27-14-6-3-7-15-27/h20-22,26H,2-19H2,1H3.
What are the key properties of 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione?
3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 449.64 g/mol, XLogP of 3.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[4-[[(6-oxo-6-piperidin-1-ylhexyl)amino]methoxymethyl]cyclohexyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 145076481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).