N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide

C14H19N3O3 — CID 135483807

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)C2CCNCC2)ccc1O
InChIInChI=1S/C14H19N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-3,8-9,11,15,18H,4-7H2,1H3,(H,17,19)/b16-9+
InChIKeyKYQLTUMEUDNWIW-CXUHLZMHSA-N
MW277.32 g/mol
LogP0.85
Rot. Bonds4

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 135483807) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID135483807
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)C2CCNCC2)ccc1O
InChIInChI=1S/C14H19N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-3,8-9,11,15,18H,4-7H2,1H3,(H,17,19)/b16-9+
InChIKeyKYQLTUMEUDNWIW-CXUHLZMHSA-N
XLogP0.85
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-diethoxybenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6871734
N-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
2-(1-azepanyl)-N'-(4-hydroxy-3-methoxybenzylidene)-2-oxoacetohydrazide
CID 135457602
Piperidin-1-yl-acetic acid (3-ethoxy-4-hydroxy-benzylidene)-hydrazide
CID 135537550
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
1-cyclohexyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135616073
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647876
N'-(3-hydroxy-4-methoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 5904739
N'-(3-hydroxy-4-methoxybenzylidene)-3-phenylpropanohydrazide
CID 9556614
N-[(1Z)-2-(4-hydroxy-3-methoxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1, 3-diamide
CID 135411907
N-[(1Z)-2-(3-ethoxy-4-hydroxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1,3-diamide
CID 135411908

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 135483807) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide is COc1cc(/C=N/NC(=O)C2CCNCC2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is KYQLTUMEUDNWIW-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-3,8-9,11,15,18H,4-7H2,1H3,(H,17,19)/b16-9+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 135483807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).