1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one

C12H20N2O3 — CID 55153337

IUPAC1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN2CCCOCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11-2-5-14(6-3-11)12(16)10-13-4-1-8-17-9-7-13/h1-10H2
InChIKeyPQNBJGSYBPTBNZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.10
Rot. Bonds2

About 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one

1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one (PubChem CID 55153337) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
PubChem CID55153337
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN2CCCOCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11-2-5-14(6-3-11)12(16)10-13-4-1-8-17-9-7-13/h1-10H2
InChIKeyPQNBJGSYBPTBNZ-UHFFFAOYSA-N
XLogP-0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 114218586
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
CID 175244751
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
CID 59303797
CID 59303797
1-(2-morpholin-4-ylacetyl)piperidin-2-one
CID 122506860
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
CID 62024607
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]morpholine-3,5-dione
CID 62024384
1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)acetyl]piperidin-4-one
CID 102744721
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one (CID 55153337) is 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one is O=C1CCN(C(=O)CN2CCCOCC2)CC1.
What is the InChIKey of 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one?
The InChIKey is PQNBJGSYBPTBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11-2-5-14(6-3-11)12(16)10-13-4-1-8-17-9-7-13/h1-10H2.
What are the key properties of 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one?
1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one has a molecular weight of 240.30 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 55153337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).