1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide

C14H21N3O2 — CID 54990074

IUPAC1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1Cc1ccc(O)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-9-2-4-11(14(16)19)8-17(9)7-10-3-5-13(18)12(15)6-10/h3,5-6,9,11,18H,2,4,7-8,15H2,1H3,(H2,16,19)
InChIKeyGVGMFDOJCLICHZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds3

About 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide

1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide (PubChem CID 54990074) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide
PubChem CID54990074
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1Cc1ccc(O)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-9-2-4-11(14(16)19)8-17(9)7-10-3-5-13(18)12(15)6-10/h3,5-6,9,11,18H,2,4,7-8,15H2,1H3,(H2,16,19)
InChIKeyGVGMFDOJCLICHZ-UHFFFAOYSA-N
XLogP1.06
TPSA92.58 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 ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide (CID 54990074) is 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1Cc1ccc(O)c(N)c1.
What is the InChIKey of 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is GVGMFDOJCLICHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-2-4-11(14(16)19)8-17(9)7-10-3-5-13(18)12(15)6-10/h3,5-6,9,11,18H,2,4,7-8,15H2,1H3,(H2,16,19).
What are the key properties of 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide?
1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-hydroxyphenyl)methyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54990074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).