N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide

C18H19N3O3 — CID 3916493

IUPACN-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)N1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H19N3O3/c1-12(22)21-8-6-15(7-9-21)19-20-18(24)16-10-13-4-2-3-5-14(13)11-17(16)23/h2-5,10-11,23H,6-9H2,1H3,(H,20,24)
InChIKeyOOVBTOCVNHJIHH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.27
Rot. Bonds2

About N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide

N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3916493) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID3916493
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)N1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H19N3O3/c1-12(22)21-8-6-15(7-9-21)19-20-18(24)16-10-13-4-2-3-5-14(13)11-17(16)23/h2-5,10-11,23H,6-9H2,1H3,(H,20,24)
InChIKeyOOVBTOCVNHJIHH-UHFFFAOYSA-N
XLogP2.27
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide (CID 3916493) is N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide is CC(=O)N1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is OOVBTOCVNHJIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(22)21-8-6-15(7-9-21)19-20-18(24)16-10-13-4-2-3-5-14(13)11-17(16)23/h2-5,10-11,23H,6-9H2,1H3,(H,20,24).
What are the key properties of N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3916493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).