2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide

C16H25N3O — CID 62509244

IUPAC2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cc(C)ccc2N)CC1
InChIInChI=1S/C16H25N3O/c1-3-8-19-9-6-13(7-10-19)18-16(20)14-11-12(2)4-5-15(14)17/h4-5,11,13H,3,6-10,17H2,1-2H3,(H,18,20)
InChIKeyRGFRZKJRICIZSQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide

2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 62509244) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID62509244
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cc(C)ccc2N)CC1
InChIInChI=1S/C16H25N3O/c1-3-8-19-9-6-13(7-10-19)18-16(20)14-11-12(2)4-5-15(14)17/h4-5,11,13H,3,6-10,17H2,1-2H3,(H,18,20)
InChIKeyRGFRZKJRICIZSQ-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

2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
4-amino-6-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 81240989
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
CID 80963448
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
tert-butyl 4-[(2-amino-5-methylbenzoyl)amino]piperidine-1-carboxylate
CID 126455593
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 63626996
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide (CID 62509244) is 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2cc(C)ccc2N)CC1.
What is the InChIKey of 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is RGFRZKJRICIZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-8-19-9-6-13(7-10-19)18-16(20)14-11-12(2)4-5-15(14)17/h4-5,11,13H,3,6-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide?
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide 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 2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 62509244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).