5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide

C16H25N3O — CID 102706008

IUPAC5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2CCN(C)CC2C)cc1N
InChIInChI=1S/C16H25N3O/c1-10-7-11(2)14(17)8-13(10)16(20)18-15-5-6-19(4)9-12(15)3/h7-8,12,15H,5-6,9,17H2,1-4H3,(H,18,20)
InChIKeyLLFRKBPSPMTUGC-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.96
Rot. Bonds2

About 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide

5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide (PubChem CID 102706008) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
PubChem CID102706008
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2CCN(C)CC2C)cc1N
InChIInChI=1S/C16H25N3O/c1-10-7-11(2)14(17)8-13(10)16(20)18-15-5-6-19(4)9-12(15)3/h7-8,12,15H,5-6,9,17H2,1-4H3,(H,18,20)
InChIKeyLLFRKBPSPMTUGC-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.96
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-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 107873193
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2-methylpyridine-3-carboxamide
CID 114502792
2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
CID 114505946
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816
2-amino-N-(1,3-dimethylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 105387679
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
CID 114502840

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide (CID 102706008) is 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NC2CCN(C)CC2C)cc1N.
What is the InChIKey of 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide?
The InChIKey is LLFRKBPSPMTUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10-7-11(2)14(17)8-13(10)16(20)18-15-5-6-19(4)9-12(15)3/h7-8,12,15H,5-6,9,17H2,1-4H3,(H,18,20).
What are the key properties of 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide?
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102706008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).