4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide

C14H21N3O2 — CID 63357388

IUPAC4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCCCC2CO)c1
InChIInChI=1S/C14H21N3O2/c1-16-14(19)10-5-6-12(15)13(8-10)17-7-3-2-4-11(17)9-18/h5-6,8,11,18H,2-4,7,9,15H2,1H3,(H,16,19)
InChIKeyONGCKNWJKDVFII-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.98
Rot. Bonds3

About 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide

4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide (PubChem CID 63357388) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
PubChem CID63357388
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCCCC2CO)c1
InChIInChI=1S/C14H21N3O2/c1-16-14(19)10-5-6-12(15)13(8-10)17-7-3-2-4-11(17)9-18/h5-6,8,11,18H,2-4,7,9,15H2,1H3,(H,16,19)
InChIKeyONGCKNWJKDVFII-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 63357045
4-amino-3-(2-ethylazepan-1-yl)benzoic acid
CID 113441876
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
CID 65342923
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide
CID 63357224
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
4-amino-N-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzamide
CID 79927793
4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 82796247

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide (CID 63357388) is 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide is CNC(=O)c1ccc(N)c(N2CCCCC2CO)c1.
What is the InChIKey of 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide?
The InChIKey is ONGCKNWJKDVFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-14(19)10-5-6-12(15)13(8-10)17-7-3-2-4-11(17)9-18/h5-6,8,11,18H,2-4,7,9,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide?
4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 63357388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).