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

C20H23N3O2 — CID 4646737

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)C(O)c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)20(25)22-21-18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,19,24H,11-15H2,(H,22,25)
InChIKeyDWDSLRUKMLMVLW-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.49
Rot. Bonds5

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

N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide (PubChem CID 4646737) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide
PubChem CID4646737
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)C(O)c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)20(25)22-21-18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,19,24H,11-15H2,(H,22,25)
InChIKeyDWDSLRUKMLMVLW-UHFFFAOYSA-N
XLogP2.49
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.49
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

2-hydroxy-2-phenyl-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 5722582
2-hydroxy-2-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 5334899
(Z)-2-hydroxy-2-phenyl-N'-((E)-4-phenylbut-3-en-2-ylidene)acetohydrazide
CID 6273819
2-hydroxy-N'-(2-methyl-3-phenyl-2-propen-1-ylidene)-2-phenylacetohydrazide
CID 9586036
2-Methoxy-N'-(1-methylpiperidin-4-ylidene)-2-phenylacetohydrazide
CID 2855888
N'-(1-Benzyl-4-piperidinylidene)-2-hydroxy-2,2-diphenylacetohydrazide
CID 379872
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 23371569
3-[1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 23371603
Hydroxy-phenyl-acetic acid (2-methyl-1-phenyl-propylidene)-hydrazide
CID 5998539
N-(1-benzyl-3-piperidyl)-2-hydroxy-2-phenyl-acetamide
CID 118541555
(2S)-N-(1-benzyl-4-piperidyl)-2-hydroxy-2-phenyl-acetamide
CID 118541637
(2R)-N-(1-benzyl-4-piperidyl)-2-hydroxy-2-phenyl-acetamide
CID 118541642

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide (CID 4646737) is N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)C(O)c1ccccc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide?
The InChIKey is DWDSLRUKMLMVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)20(25)22-21-18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,19,24H,11-15H2,(H,22,25).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2-hydroxy-2-phenylacetamide has a molecular weight of 337.42 g/mol, XLogP of 2.49, 5 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-hydroxy-2-phenylacetamide is sourced from PubChem (CID 4646737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).