5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide

C15H23N3O — CID 102705323

IUPAC5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCc1cc(C)c(C(=O)NC2CCCN(C)C2)cc1N
InChIInChI=1S/C15H23N3O/c1-10-7-11(2)14(16)8-13(10)15(19)17-12-5-4-6-18(3)9-12/h7-8,12H,4-6,9,16H2,1-3H3,(H,17,19)
InChIKeyPCVSLQJETQNKCL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.71
Rot. Bonds2

About 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide

5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 102705323) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID102705323
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCc1cc(C)c(C(=O)NC2CCCN(C)C2)cc1N
InChIInChI=1S/C15H23N3O/c1-10-7-11(2)14(16)8-13(10)15(19)17-12-5-4-6-18(3)9-12/h7-8,12H,4-6,9,16H2,1-3H3,(H,17,19)
InChIKeyPCVSLQJETQNKCL-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.71
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

3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624
5-amino-N-(1,1-dioxothiolan-3-yl)-2,4-dimethylbenzamide
CID 102704893
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide (CID 102705323) is 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide is Cc1cc(C)c(C(=O)NC2CCCN(C)C2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is PCVSLQJETQNKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-7-11(2)14(16)8-13(10)15(19)17-12-5-4-6-18(3)9-12/h7-8,12H,4-6,9,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide?
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 102705323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).