1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione

C14H26N4O2 — CID 43586358

IUPAC1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
SMILESCN(C)C1CCN(C(=O)C(=O)N2CCCNCC2)CC1
InChIInChI=1S/C14H26N4O2/c1-16(2)12-4-9-18(10-5-12)14(20)13(19)17-8-3-6-15-7-11-17/h12,15H,3-11H2,1-2H3
InChIKeyZASYFAWPDBMXER-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.64
Rot. Bonds1

About 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione

1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione (PubChem CID 43586358) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
PubChem CID43586358
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
SMILESCN(C)C1CCN(C(=O)C(=O)N2CCCNCC2)CC1
InChIInChI=1S/C14H26N4O2/c1-16(2)12-4-9-18(10-5-12)14(20)13(19)17-8-3-6-15-7-11-17/h12,15H,3-11H2,1-2H3
InChIKeyZASYFAWPDBMXER-UHFFFAOYSA-N
XLogP-0.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione with MolForge

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Related Compounds

N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
(R)-4-((S)-3-amino-4-(2-oxopiperidin-1-yl)butanoyl)-3-methyl-1,4-diazepan-2-one
CID 44561191
N-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 49855131
N-(1-acetylpiperidin-3-yl)propanamide
CID 44454221
1,4-Diazabicyclo(3.2.2)nonan-3-one
CID 4401850
2-(4-aminopiperidin-1-yl)-N-methylacetamide
CID 18071178
N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 5310193
(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 16745935
N-butyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-propylacetamide
CID 49853581
2-(1,4-diazepan-1-yl)-N-(propan-2-yl)acetamide
CID 13270103
N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione (CID 43586358) is 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione is CN(C)C1CCN(C(=O)C(=O)N2CCCNCC2)CC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione?
The InChIKey is ZASYFAWPDBMXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-16(2)12-4-9-18(10-5-12)14(20)13(19)17-8-3-6-15-7-11-17/h12,15H,3-11H2,1-2H3.
What are the key properties of 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione?
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione has a molecular weight of 282.39 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 43586358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).