2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C12H23N3O2 — CID 54873334

IUPAC2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C12H23N3O2/c13-9-12(16)15-3-1-11(2-4-15)10-14-5-7-17-8-6-14/h11H,1-10,13H2
InChIKeyMIKVFOIPHCYGFL-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.48
Rot. Bonds3

About 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 54873334) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID54873334
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C12H23N3O2/c13-9-12(16)15-3-1-11(2-4-15)10-14-5-7-17-8-6-14/h11H,1-10,13H2
InChIKeyMIKVFOIPHCYGFL-UHFFFAOYSA-N
XLogP-0.48
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 54873334) is 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is NCC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is MIKVFOIPHCYGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-9-12(16)15-3-1-11(2-4-15)10-14-5-7-17-8-6-14/h11H,1-10,13H2.
What are the key properties of 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 241.33 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 54873334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).