1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone

C13H24N4O3 — CID 114395313

IUPAC1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCOC(CN)C2)CC1
InChIInChI=1S/C13H24N4O3/c1-11(18)16-2-4-17(5-3-16)13(19)10-15-6-7-20-12(8-14)9-15/h12H,2-10,14H2,1H3
InChIKeyKGTLJYFTRFFJHK-UHFFFAOYSA-N
MW284.36 g/mol
LogP-1.66
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone (PubChem CID 114395313) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone
PubChem CID114395313
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCOC(CN)C2)CC1
InChIInChI=1S/C13H24N4O3/c1-11(18)16-2-4-17(5-3-16)13(19)10-15-6-7-20-12(8-14)9-15/h12H,2-10,14H2,1H3
InChIKeyKGTLJYFTRFFJHK-UHFFFAOYSA-N
XLogP-1.66
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064
1-(azetidin-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79832857
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79833113
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
2-[2-(aminomethyl)morpholin-4-yl]-N-butylacetamide
CID 61485522
3-[2-(aminomethyl)morpholin-4-yl]propanamide
CID 61336433
2-[2-(aminomethyl)morpholin-4-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 114394847
3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
CID 61336630
2-[2-(2-methoxyethyl)morpholin-4-yl]-1-piperazin-1-ylethanone
CID 131914885

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone (CID 114395313) is 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone is CC(=O)N1CCN(C(=O)CN2CCOC(CN)C2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone?
The InChIKey is KGTLJYFTRFFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-11(18)16-2-4-17(5-3-16)13(19)10-15-6-7-20-12(8-14)9-15/h12H,2-10,14H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of -1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 114395313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).