1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

C14H21N3O2 — CID 54985657

IUPAC1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(N)ccc1O
InChIInChI=1S/C14H21N3O2/c1-16-14(19)12-4-2-3-7-17(12)9-10-8-11(15)5-6-13(10)18/h5-6,8,12,18H,2-4,7,9,15H2,1H3,(H,16,19)
InChIKeyFOWCEENBHNEVEL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.07
Rot. Bonds3

About 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 54985657) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID54985657
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(N)ccc1O
InChIInChI=1S/C14H21N3O2/c1-16-14(19)12-4-2-3-7-17(12)9-10-8-11(15)5-6-13(10)18/h5-6,8,12,18H,2-4,7,9,15H2,1H3,(H,16,19)
InChIKeyFOWCEENBHNEVEL-UHFFFAOYSA-N
XLogP1.07
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978718
1-[(2-amino-4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 64770558
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842
1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 55046708
1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103760645
5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 62274666
1-[(3-carbamothioyl-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 107115446

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 54985657) is 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1cc(N)ccc1O.
What is the InChIKey of 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is FOWCEENBHNEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-14(19)12-4-2-3-7-17(12)9-10-8-11(15)5-6-13(10)18/h5-6,8,12,18H,2-4,7,9,15H2,1H3,(H,16,19).
What are the key properties of 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 54985657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).