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

C13H24N2O — CID 124507947

IUPAC[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)[C@H]1CCCCCN1
InChIInChI=1S/C13H24N2O/c1-11-7-4-6-10-15(11)13(16)12-8-3-2-5-9-14-12/h11-12,14H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyMGYVWEJCZQKKAB-VXGBXAGGSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds1

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

[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 124507947) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID124507947
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)[C@H]1CCCCCN1
InChIInChI=1S/C13H24N2O/c1-11-7-4-6-10-15(11)13(16)12-8-3-2-5-9-14-12/h11-12,14H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyMGYVWEJCZQKKAB-VXGBXAGGSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
CID 82916755
(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104914142
(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 104914141
[(2R)-2-methylpiperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 96998627
1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851394
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129494164
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 129494165

Frequently Asked Questions

What is the IUPAC name of [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 124507947) is [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)[C@H]1CCCCCN1.
What is the InChIKey of [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is MGYVWEJCZQKKAB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-7-4-6-10-15(11)13(16)12-8-3-2-5-9-14-12/h11-12,14H,2-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 124507947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).