N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide

C19H21N3O2 — CID 773952

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1O
InChIInChI=1S/C19H21N3O2/c23-18-9-5-4-8-17(18)19(24)21-20-16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,23H,10-14H2,(H,21,24)
InChIKeyNZSVQKHLRHRKKI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.77
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide

N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide (PubChem CID 773952) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide
PubChem CID773952
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1O
InChIInChI=1S/C19H21N3O2/c23-18-9-5-4-8-17(18)19(24)21-20-16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,23H,10-14H2,(H,21,24)
InChIKeyNZSVQKHLRHRKKI-UHFFFAOYSA-N
XLogP2.77
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Chel 180
CID 135445765
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
CID 3098837
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
(4E)-2-(2-hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 5467417
(4E)-2-(2-hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 135499334
(4E)-2-(2-hydroxybenzoyl)-4-[(4-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 135499335
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
1-[(2-Hydroxyphenyl)carbonyl]-3-methyl-2-pyrazolin-5-one
CID 5195985
2-hydroxy-N'-(1-methylbutylidene)benzohydrazide
CID 9664041
n'-Benzylidene-2-hydroxybenzohydrazide
CID 5332016
2-hydroxy-N'-(1-(2-hydroxyphenyl)ethylidene)benzohydrazide
CID 135472588

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide (CID 773952) is N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1O.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide?
The InChIKey is NZSVQKHLRHRKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18-9-5-4-8-17(18)19(24)21-20-16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,23H,10-14H2,(H,21,24).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxybenzamide has a molecular weight of 323.40 g/mol, XLogP of 2.77, 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]-2-hydroxybenzamide is sourced from PubChem (CID 773952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).