3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide

C16H24N2O2 — CID 110642888

IUPAC3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide
SMILESCc1ccc(C(=O)NOCCN2CCCCC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-13-6-7-15(12-14(13)2)16(19)17-20-11-10-18-8-4-3-5-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyVMMVDJCRIATLKL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds5

About 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide

3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 110642888) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide
PubChem CID110642888
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide
SMILESCc1ccc(C(=O)NOCCN2CCCCC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-13-6-7-15(12-14(13)2)16(19)17-20-11-10-18-8-4-3-5-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyVMMVDJCRIATLKL-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110643022
3-bromo-N-(2-piperidin-1-ylethoxy)benzamide
CID 110417493
3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide
CID 110642916
4-hydrazinyl-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63212242
N-(2-piperidin-1-ylethoxy)acetamide
CID 110642863
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide (CID 110642888) is 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide is Cc1ccc(C(=O)NOCCN2CCCCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is VMMVDJCRIATLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-7-15(12-14(13)2)16(19)17-20-11-10-18-8-4-3-5-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19).
What are the key properties of 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide?
3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 110642888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).