(2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one

C15H28N2O2 — CID 94512899

IUPAC(2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(16-11-7-14(19-2)8-12-16)15(18)17-9-5-3-4-6-10-17/h13-14H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyBBQUOMICIZJHKT-CYBMUJFWSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds3

About (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one

(2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one (PubChem CID 94512899) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one
PubChem CID94512899
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(16-11-7-14(19-2)8-12-16)15(18)17-9-5-3-4-6-10-17/h13-14H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyBBQUOMICIZJHKT-CYBMUJFWSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one (CID 94512899) is (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one is COC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1.
What is the InChIKey of (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is BBQUOMICIZJHKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(16-11-7-14(19-2)8-12-16)15(18)17-9-5-3-4-6-10-17/h13-14H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one?
(2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azepan-1-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 94512899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).