2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide

C17H20N4O3 — CID 21212205

IUPAC2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O3/c18-9-8-16(22)20-19-12-14-4-6-15(7-5-14)24-13-17(23)21-10-2-1-3-11-21/h4-7,12H,1-3,8,10-11,13H2,(H,20,22)/b19-12+
InChIKeyYYBMTPUNSZWZGO-XDHOZWIPSA-N
MW328.37 g/mol
LogP1.44
Rot. Bonds6

About 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide

2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide (PubChem CID 21212205) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
PubChem CID21212205
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O3/c18-9-8-16(22)20-19-12-14-4-6-15(7-5-14)24-13-17(23)21-10-2-1-3-11-21/h4-7,12H,1-3,8,10-11,13H2,(H,20,22)/b19-12+
InChIKeyYYBMTPUNSZWZGO-XDHOZWIPSA-N
XLogP1.44
TPSA94.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 2806400
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126261219
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
CID 126032698
N-[(E)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 46502216
N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 92652570
N-(2-fluorophenyl)-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 17202171
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267880
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide (CID 21212205) is 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide is N#CCC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is YYBMTPUNSZWZGO-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-9-8-16(22)20-19-12-14-4-6-15(7-5-14)24-13-17(23)21-10-2-1-3-11-21/h4-7,12H,1-3,8,10-11,13H2,(H,20,22)/b19-12+.
What are the key properties of 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide?
2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 21212205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).