1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one

C8H14N2O — CID 138700109

IUPAC1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC[C@H]1N
InChIInChI=1S/C8H14N2O/c1-2-8(11)10-6-4-3-5-7(10)9/h2,7H,1,3-6,9H2/t7-/m0/s1
InChIKeyHYCFETZNJOWHOY-ZETCQYMHSA-N
MW154.21 g/mol
LogP0.47
Rot. Bonds1

About 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one

1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one (PubChem CID 138700109) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one
PubChem CID138700109
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC[C@H]1N
InChIInChI=1S/C8H14N2O/c1-2-8(11)10-6-4-3-5-7(10)9/h2,7H,1,3-6,9H2/t7-/m0/s1
InChIKeyHYCFETZNJOWHOY-ZETCQYMHSA-N
XLogP0.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 166466257
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
1-(3-aminoazepan-1-yl)prop-2-en-1-one
CID 155149074
2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate
CID 157364720
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
1-(2-propan-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 14549802
N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide
CID 54069854
2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 130979256
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one (CID 138700109) is 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC[C@H]1N.
What is the InChIKey of 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one?
The InChIKey is HYCFETZNJOWHOY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-8(11)10-6-4-3-5-7(10)9/h2,7H,1,3-6,9H2/t7-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one?
1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 138700109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).