azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride

C12H23ClN2O — CID 119669545

IUPACazepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCCN1)N1CCCCCC1
InChIInChI=1S/C12H22N2O.ClH/c15-12(11-7-3-4-8-13-11)14-9-5-1-2-6-10-14;/h11,13H,1-10H2;1H/t11-;/m0./s1
InChIKeyJFRCEFQICYWCFZ-MERQFXBCSA-N
MW246.78 g/mol
LogP1.95
Rot. Bonds1

About azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride

azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride (PubChem CID 119669545) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Nameazepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
PubChem CID119669545
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Nameazepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCCN1)N1CCCCCC1
InChIInChI=1S/C12H22N2O.ClH/c15-12(11-7-3-4-8-13-11)14-9-5-1-2-6-10-14;/h11,13H,1-10H2;1H/t11-;/m0./s1
InChIKeyJFRCEFQICYWCFZ-MERQFXBCSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
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
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride?
The IUPAC name of azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride (CID 119669545) is azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride?
The canonical SMILES for azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride is Cl.O=C([C@@H]1CCCCN1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride?
The InChIKey is JFRCEFQICYWCFZ-MERQFXBCSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c15-12(11-7-3-4-8-13-11)14-9-5-1-2-6-10-14;/h11,13H,1-10H2;1H/t11-;/m0./s1.
What are the key properties of azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride?
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119669545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).