(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone

C15H28N2O3 — CID 160589871

IUPAC(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
SMILESCC(=O)[C@H]1CCCCN1C.CN1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO.C7H13NO2/c1-7(10)8-5-3-4-6-9(8)2;1-8-5-3-2-4-6(8)7(9)10/h8H,3-6H2,1-2H3;6H,2-5H2,1H3,(H,9,10)/t8-;6-/m11/s1
InChIKeyRCWIKKURSWPACF-WNXIGWQFSA-N
MW284.40 g/mol
LogP1.62
Rot. Bonds2

About (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone

(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone (PubChem CID 160589871) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
PubChem CID160589871
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
SMILESCC(=O)[C@H]1CCCCN1C.CN1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO.C7H13NO2/c1-7(10)8-5-3-4-6-9(8)2;1-8-5-3-2-4-6(8)7(9)10/h8H,3-6H2,1-2H3;6H,2-5H2,1H3,(H,9,10)/t8-;6-/m11/s1
InChIKeyRCWIKKURSWPACF-WNXIGWQFSA-N
XLogP1.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
butan-2-one;ethane;1-(1-methylpyrrolidin-2-yl)ethanone
CID 91387688
2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone
CID 143816509
2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone
CID 143816508
ethane;1-(1-methylpyrrolidin-2-yl)ethanone;propanal
CID 143105451
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
1-methylazepane-2-carbonyl chloride
CID 88548044
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone?
The IUPAC name of (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone (CID 160589871) is (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone.
What is the SMILES notation for (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone?
The canonical SMILES for (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone is CC(=O)[C@H]1CCCCN1C.CN1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone?
The InChIKey is RCWIKKURSWPACF-WNXIGWQFSA-N. The full InChI is InChI=1S/C8H15NO.C7H13NO2/c1-7(10)8-5-3-4-6-9(8)2;1-8-5-3-2-4-6(8)7(9)10/h8H,3-6H2,1-2H3;6H,2-5H2,1H3,(H,9,10)/t8-;6-/m11/s1.
What are the key properties of (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone?
(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone is sourced from PubChem (CID 160589871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).