1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone

C11H20N2O2 — CID 81141474

IUPAC1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCNC1)N1CCCOCC1
InChIInChI=1S/C11H20N2O2/c14-11(10-3-1-4-12-9-10)13-5-2-7-15-8-6-13/h10,12H,1-9H2/t10-/m0/s1
InChIKeyXEPGBWYBXBIQCA-JTQLQIEISA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds1

About 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone

1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone (PubChem CID 81141474) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
PubChem CID81141474
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCNC1)N1CCCOCC1
InChIInChI=1S/C11H20N2O2/c14-11(10-3-1-4-12-9-10)13-5-2-7-15-8-6-13/h10,12H,1-9H2/t10-/m0/s1
InChIKeyXEPGBWYBXBIQCA-JTQLQIEISA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81128684
(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141484
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
(2-methyl-1,4-oxazepan-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141316
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 81134829
N-(3-morpholin-4-yl-3-oxopropyl)piperidine-3-carboxamide
CID 115597288

Frequently Asked Questions

What is the IUPAC name of 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone (CID 81141474) is 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone is O=C([C@H]1CCCNC1)N1CCCOCC1.
What is the InChIKey of 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone?
The InChIKey is XEPGBWYBXBIQCA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(10-3-1-4-12-9-10)13-5-2-7-15-8-6-13/h10,12H,1-9H2/t10-/m0/s1.
What are the key properties of 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone?
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 81141474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).