3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide

C23H23N3O2 — CID 4045679

IUPAC3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(N2CCCCC2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C23H23N3O2/c27-22-15-19-7-3-2-6-18(19)14-21(22)23(28)25-24-16-17-8-10-20(11-9-17)26-12-4-1-5-13-26/h2-3,6-11,14-16,27H,1,4-5,12-13H2,(H,25,28)
InChIKeyOCYVRISNWOHULJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.30
Rot. Bonds4

About 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 4045679) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID4045679
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(N2CCCCC2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C23H23N3O2/c27-22-15-19-7-3-2-6-18(19)14-21(22)23(28)25-24-16-17-8-10-20(11-9-17)26-12-4-1-5-13-26/h2-3,6-11,14-16,27H,1,4-5,12-13H2,(H,25,28)
InChIKeyOCYVRISNWOHULJ-UHFFFAOYSA-N
XLogP4.30
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'hzone_acyl_naphthol(22)', '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-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
3-hydroxy-N-[(4-prop-2-ynoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4664333
3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5430547
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 50855396
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
3-hydroxy-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 146510329

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide (CID 4045679) is 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide is O=C(NN=Cc1ccc(N2CCCCC2)cc1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is OCYVRISNWOHULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22-15-19-7-3-2-6-18(19)14-21(22)23(28)25-24-16-17-8-10-20(11-9-17)26-12-4-1-5-13-26/h2-3,6-11,14-16,27H,1,4-5,12-13H2,(H,25,28).
What are the key properties of 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 4045679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).