2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione

C14H25N3O3 — CID 173096763

IUPAC2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione
SMILESCC(CCC(=O)N1CCNCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O3/c1-12(14(19)17-8-10-20-11-9-17)2-3-13(18)16-6-4-15-5-7-16/h12,15H,2-11H2,1H3
InChIKeyNPLOPHJNBRIIDP-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.31
Rot. Bonds4

About 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione

2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione (PubChem CID 173096763) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione
PubChem CID173096763
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione
SMILESCC(CCC(=O)N1CCNCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O3/c1-12(14(19)17-8-10-20-11-9-17)2-3-13(18)16-6-4-15-5-7-16/h12,15H,2-11H2,1H3
InChIKeyNPLOPHJNBRIIDP-UHFFFAOYSA-N
XLogP-0.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
4-(4-Piperidinylcarbonyl)Morpholine
CID 1520211
2-Propyl-pentanoic acid (2-morpholin-4-yl-ethyl)-amide
CID 6602917
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 24790674
N-[1,1-dimethyl-2-(1-pyrrolidinyl)ethyl]-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24791144
2-Amino-4-methyl-1-(morpholin-4-YL)pentan-1-one
CID 21355341
4-(Piperidine-4-carbonyl)morpholine hydrochloride
CID 2794689
4-(Piperidine-3-carbonyl)morpholine hydrochloride
CID 17552706
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11912271
3-N,3-N-diethyl-1-N-(2-morpholin-4-ylethyl)piperidine-1,3-dicarboxamide
CID 172437921
N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 5157518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione?
The IUPAC name of 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione (CID 173096763) is 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione.
What is the SMILES notation for 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione?
The canonical SMILES for 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione is CC(CCC(=O)N1CCNCC1)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione?
The InChIKey is NPLOPHJNBRIIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-12(14(19)17-8-10-20-11-9-17)2-3-13(18)16-6-4-15-5-7-16/h12,15H,2-11H2,1H3.
What are the key properties of 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione?
2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione has a molecular weight of 283.37 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-yl-5-piperazin-1-ylpentane-1,5-dione is sourced from PubChem (CID 173096763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).