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

C23H23N3O2 — CID 1219007

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc2ccccc2cc1O
InChIInChI=1S/C23H23N3O2/c27-22-15-19-9-5-4-8-18(19)14-21(22)23(28)25-24-20-10-12-26(13-11-20)16-17-6-2-1-3-7-17/h1-9,14-15,27H,10-13,16H2,(H,25,28)
InChIKeyABNVUJNIHXHJML-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.93
Rot. Bonds4

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

N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 1219007) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID1219007
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc2ccccc2cc1O
InChIInChI=1S/C23H23N3O2/c27-22-15-19-9-5-4-8-18(19)14-21(22)23(28)25-24-20-10-12-26(13-11-20)16-17-6-2-1-3-7-17/h1-9,14-15,27H,10-13,16H2,(H,25,28)
InChIKeyABNVUJNIHXHJML-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
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-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide (CID 1219007) is N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is ABNVUJNIHXHJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22-15-19-9-5-4-8-18(19)14-21(22)23(28)25-24-20-10-12-26(13-11-20)16-17-6-2-1-3-7-17/h1-9,14-15,27H,10-13,16H2,(H,25,28).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 1219007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).