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

C16H25N3O — CID 120646104

IUPAC5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
SMILESCCN1CCCCC1CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H25N3O/c1-3-19-9-5-4-6-14(19)11-18-16(20)15-10-13(17)8-7-12(15)2/h7-8,10,14H,3-6,9,11,17H2,1-2H3,(H,18,20)
InChIKeyLYEWMSVXZOEMFE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.18
Rot. Bonds4

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

5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide (PubChem CID 120646104) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
PubChem CID120646104
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
SMILESCCN1CCCCC1CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H25N3O/c1-3-19-9-5-4-6-14(19)11-18-16(20)15-10-13(17)8-7-12(15)2/h7-8,10,14H,3-6,9,11,17H2,1-2H3,(H,18,20)
InChIKeyLYEWMSVXZOEMFE-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
2-amino-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 55244322
2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide
CID 124730047
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide (CID 120646104) is 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide is CCN1CCCCC1CNC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide?
The InChIKey is LYEWMSVXZOEMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19-9-5-4-6-14(19)11-18-16(20)15-10-13(17)8-7-12(15)2/h7-8,10,14H,3-6,9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide?
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 120646104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).