2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide

C15H23N3O2 — CID 107075001

IUPAC2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
SMILESCCN1CCC(CNC(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C15H23N3O2/c1-2-18-7-5-11(6-8-18)10-17-15(20)13-9-12(19)3-4-14(13)16/h3-4,9,11,19H,2,5-8,10,16H2,1H3,(H,17,20)
InChIKeyPMFWWXSNZJXFGW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds4

About 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide

2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide (PubChem CID 107075001) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
PubChem CID107075001
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
SMILESCCN1CCC(CNC(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C15H23N3O2/c1-2-18-7-5-11(6-8-18)10-17-15(20)13-9-12(19)3-4-14(13)16/h3-4,9,11,19H,2,5-8,10,16H2,1H3,(H,17,20)
InChIKeyPMFWWXSNZJXFGW-UHFFFAOYSA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
CID 61383519
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330664
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
3-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzamide
CID 107872280
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956695
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 62162133
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79772808
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide (CID 107075001) is 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide is CCN1CCC(CNC(=O)c2cc(O)ccc2N)CC1.
What is the InChIKey of 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide?
The InChIKey is PMFWWXSNZJXFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18-7-5-11(6-8-18)10-17-15(20)13-9-12(19)3-4-14(13)16/h3-4,9,11,19H,2,5-8,10,16H2,1H3,(H,17,20).
What are the key properties of 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide?
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide is sourced from PubChem (CID 107075001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).