[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone

C12H20N2O — CID 102983809

IUPAC[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESN[C@@H]1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C12H20N2O/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-2,10-11H,3-9,13H2/t10?,11-/m1/s1
InChIKeyFWQWOKWGQDKGDF-RRKGBCIJSA-N
MW208.30 g/mol
LogP1.29
Rot. Bonds1

About [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone

[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone (PubChem CID 102983809) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
PubChem CID102983809
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESN[C@@H]1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C12H20N2O/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-2,10-11H,3-9,13H2/t10?,11-/m1/s1
InChIKeyFWQWOKWGQDKGDF-RRKGBCIJSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371831
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95159169
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 61295519
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 99882951
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
(3S)-3-aminoazepane-1-carboxylic acid
CID 67077828

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone (CID 102983809) is [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone is N[C@@H]1CCCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone?
The InChIKey is FWQWOKWGQDKGDF-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-2,10-11H,3-9,13H2/t10?,11-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone?
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone has a molecular weight of 208.30 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone is sourced from PubChem (CID 102983809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).