2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen

C12H26N4O3 — CID 157480889

IUPAC2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
SMILESC=C(C)NOCCNC(=O)CN1CCC[C@H](N)C1=O.[H][H].[H][H]
InChIInChI=1S/C12H22N4O3.2H2/c1-9(2)15-19-7-5-14-11(17)8-16-6-3-4-10(13)12(16)18;;/h10,15H,1,3-8,13H2,2H3,(H,14,17);2*1H/t10-;;/m0../s1
InChIKeyBWDLEVQJMHAQPB-XRIOVQLTSA-N
MW274.36 g/mol
LogP-0.40
Rot. Bonds7

About 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen

2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen (PubChem CID 157480889) has the molecular formula C12H26N4O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
PubChem CID157480889
Molecular FormulaC12H26N4O3
Molecular Weight274.36 g/mol
Exact Mass274.20
IUPAC Name2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
SMILESC=C(C)NOCCNC(=O)CN1CCC[C@H](N)C1=O.[H][H].[H][H]
InChIInChI=1S/C12H22N4O3.2H2/c1-9(2)15-19-7-5-14-11(17)8-16-6-3-4-10(13)12(16)18;;/h10,15H,1,3-8,13H2,2H3,(H,14,17);2*1H/t10-;;/m0../s1
InChIKeyBWDLEVQJMHAQPB-XRIOVQLTSA-N
XLogP-0.40
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 59072714
(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide
CID 59900096
(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900107
(2S)-1-methyl-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900110
2-(3-amino-2-oxopiperidin-1-yl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 23400525
N-but-1-en-2-yl-N-methyl-2-[(3S)-3-(methylamino)-2-oxopiperidin-1-yl]acetamide
CID 142159188
3-[[(Z)-6-amino-5-(propylamino)hex-5-enyl]-methoxyamino]-6-methylidenepiperidin-2-one
CID 144663994

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen?
The IUPAC name of 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen (CID 157480889) is 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen is C=C(C)NOCCNC(=O)CN1CCC[C@H](N)C1=O.[H][H].[H][H].
What is the InChIKey of 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen?
The InChIKey is BWDLEVQJMHAQPB-XRIOVQLTSA-N. The full InChI is InChI=1S/C12H22N4O3.2H2/c1-9(2)15-19-7-5-14-11(17)8-16-6-3-4-10(13)12(16)18;;/h10,15H,1,3-8,13H2,2H3,(H,14,17);2*1H/t10-;;/m0../s1.
What are the key properties of 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen?
2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen has a molecular weight of 274.36 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 157480889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).