N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide

C17H26N2O — CID 81043565

IUPACN-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
SMILESCc1cccc(NC(=O)CC(C)C2CCCNC2)c1C
InChIInChI=1S/C17H26N2O/c1-12-6-4-8-16(14(12)3)19-17(20)10-13(2)15-7-5-9-18-11-15/h4,6,8,13,15,18H,5,7,9-11H2,1-3H3,(H,19,20)
InChIKeyTXTFLWLJNDVENK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.27
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide

N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide (PubChem CID 81043565) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
PubChem CID81043565
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
SMILESCc1cccc(NC(=O)CC(C)C2CCCNC2)c1C
InChIInChI=1S/C17H26N2O/c1-12-6-4-8-16(14(12)3)19-17(20)10-13(2)15-7-5-9-18-11-15/h4,6,8,13,15,18H,5,7,9-11H2,1-3H3,(H,19,20)
InChIKeyTXTFLWLJNDVENK-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide
CID 119798926
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119750611
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide (CID 81043565) is N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide is Cc1cccc(NC(=O)CC(C)C2CCCNC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide?
The InChIKey is TXTFLWLJNDVENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-6-4-8-16(14(12)3)19-17(20)10-13(2)15-7-5-9-18-11-15/h4,6,8,13,15,18H,5,7,9-11H2,1-3H3,(H,19,20).
What are the key properties of N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide?
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81043565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).