[(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate

C15H18N2O4 — CID 123280747

IUPAC[(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate
SMILESCOC(=O)C(NOC(=O)c1ccccc1)=C1CCNCC1
InChIInChI=1S/C15H18N2O4/c1-20-15(19)13(11-7-9-16-10-8-11)17-21-14(18)12-5-3-2-4-6-12/h2-6,16-17H,7-10H2,1H3
InChIKeyDFFYSJNBKXPVRP-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.16
Rot. Bonds4

About [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate

[(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate (PubChem CID 123280747) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate.

Molecular Properties

Compound Name[(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate
PubChem CID123280747
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate
SMILESCOC(=O)C(NOC(=O)c1ccccc1)=C1CCNCC1
InChIInChI=1S/C15H18N2O4/c1-20-15(19)13(11-7-9-16-10-8-11)17-21-14(18)12-5-3-2-4-6-12/h2-6,16-17H,7-10H2,1H3
InChIKeyDFFYSJNBKXPVRP-UHFFFAOYSA-N
XLogP1.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2-methoxy-2-oxoacetyl)amino] benzoate
CID 152508358
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
ethane;methoxymethane;methyl benzoate
CID 90999424
(1-ethoxyethenylamino) benzoate
CID 123459166
[[(2S)-2-amino-3-hydroxypropanoyl]amino] benzoate
CID 86740598
methyl (Z)-4-oxo-4-phenyl-2-sulfanylbut-2-enoate
CID 143031018
[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate
CID 569846
methyl benzoate azide
CID 161139797
methyl benzoate;2-methylpropan-1-ol
CID 69407319
methyl 2-cyano-2-piperidin-4-ylideneacetate
CID 84657317

Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate?
The IUPAC name of [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate (CID 123280747) is [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate.
What is the SMILES notation for [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate?
The canonical SMILES for [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate is COC(=O)C(NOC(=O)c1ccccc1)=C1CCNCC1.
What is the InChIKey of [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate?
The InChIKey is DFFYSJNBKXPVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-15(19)13(11-7-9-16-10-8-11)17-21-14(18)12-5-3-2-4-6-12/h2-6,16-17H,7-10H2,1H3.
What are the key properties of [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate?
[(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-2-oxo-1-piperidin-4-ylideneethyl)amino] benzoate is sourced from PubChem (CID 123280747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).