2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone

C12H23N3O2 — CID 43611217

IUPAC2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-14(11-2-8-17-9-3-11)10-12(16)15-6-4-13-5-7-15/h11,13H,2-10H2,1H3
InChIKeyIEUBEBAIICEZOA-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds3

About 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone

2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 43611217) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
PubChem CID43611217
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-14(11-2-8-17-9-3-11)10-12(16)15-6-4-13-5-7-15/h11,13H,2-10H2,1H3
InChIKeyIEUBEBAIICEZOA-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 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 ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tetrahydro-2H-pyran-4-yl)-2-piperazinone hydrochloride
CID 67085010
propanamide, N-4-piperidinyl-N-(tetrahydro-2H-pyran-4-yl)-
CID 91916159
1-(Morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one
CID 16769381
2-amino-N-methyl-N-(oxan-4-yl)propanamide
CID 43611105
Methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate
CID 71926600
N-methyl-N-{2-oxo-2-[4-(tetrahydro-2H-pyran-4-yl)-1-piperazinyl]ethyl}-4-piperidinamine dihydrochloride
CID 131899928
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 132289030
1-(Oxan-4-yl)piperazin-2-one
CID 55296257
2-[(3R)-4-(3-ethoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626412
2-[(2R)-4-(3-ethoxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175635960
2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
CID 56788602
N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226083

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone (CID 43611217) is 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)C1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is IEUBEBAIICEZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14(11-2-8-17-9-3-11)10-12(16)15-6-4-13-5-7-15/h11,13H,2-10H2,1H3.
What are the key properties of 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 241.33 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 43611217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).