2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile

C11H18N6O — CID 66431942

IUPAC2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile
SMILESN#CC(CC(=O)N1CCCCC1)NCCN=[N+]=[N-]
InChIInChI=1S/C11H18N6O/c12-9-10(14-4-5-15-16-13)8-11(18)17-6-2-1-3-7-17/h10,14H,1-8H2
InChIKeyGGYJBOORHDXKMW-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.18
Rot. Bonds6

About 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile

2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile (PubChem CID 66431942) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile.

Molecular Properties

Compound Name2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile
PubChem CID66431942
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile
SMILESN#CC(CC(=O)N1CCCCC1)NCCN=[N+]=[N-]
InChIInChI=1S/C11H18N6O/c12-9-10(14-4-5-15-16-13)8-11(18)17-6-2-1-3-7-17/h10,14H,1-8H2
InChIKeyGGYJBOORHDXKMW-UHFFFAOYSA-N
XLogP1.18
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)ethylamino]-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66432333
N-(2-azidoethyl)piperidine-1-carboxamide
CID 79155293
4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile
CID 66431939
4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile
CID 66432127
2-(2-bromoanilino)-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66431718
2-(3-bromoanilino)-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66431510
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
(3R)-5-(azepan-1-yl)-2-imino-5-oxopentane-1,1,3-tricarbonitrile
CID 7937233
N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586646
4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one
CID 66431112
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile?
The IUPAC name of 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile (CID 66431942) is 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile.
What is the SMILES notation for 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile?
The canonical SMILES for 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile is N#CC(CC(=O)N1CCCCC1)NCCN=[N+]=[N-].
What is the InChIKey of 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile?
The InChIKey is GGYJBOORHDXKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c12-9-10(14-4-5-15-16-13)8-11(18)17-6-2-1-3-7-17/h10,14H,1-8H2.
What are the key properties of 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile?
2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile has a molecular weight of 250.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile is sourced from PubChem (CID 66431942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).