azepan-1-yl-[(2R)-piperidin-2-yl]methanone

C12H22N2O — CID 7183049

IUPACazepan-1-yl-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-12(11-7-3-4-8-13-11)14-9-5-1-2-6-10-14/h11,13H,1-10H2/t11-/m1/s1
InChIKeySJIXUAHYLJYDCF-LLVKDONJSA-N
MW210.32 g/mol
LogP1.53
Rot. Bonds1

About azepan-1-yl-[(2R)-piperidin-2-yl]methanone

azepan-1-yl-[(2R)-piperidin-2-yl]methanone (PubChem CID 7183049) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is azepan-1-yl-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(2R)-piperidin-2-yl]methanone
PubChem CID7183049
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameazepan-1-yl-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-12(11-7-3-4-8-13-11)14-9-5-1-2-6-10-14/h11,13H,1-10H2/t11-/m1/s1
InChIKeySJIXUAHYLJYDCF-LLVKDONJSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[(2R)-piperidin-2-yl]methanone (CID 7183049) is azepan-1-yl-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(2R)-piperidin-2-yl]methanone?
The InChIKey is SJIXUAHYLJYDCF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(11-7-3-4-8-13-11)14-9-5-1-2-6-10-14/h11,13H,1-10H2/t11-/m1/s1.
What are the key properties of azepan-1-yl-[(2R)-piperidin-2-yl]methanone?
azepan-1-yl-[(2R)-piperidin-2-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 7183049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).