4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide

C18H28N2O2 — CID 120598414

IUPAC4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NC2CCNC(C)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-13(2)9-11-22-17-6-4-15(5-7-17)18(21)20-16-8-10-19-14(3)12-16/h4-7,13-14,16,19H,8-12H2,1-3H3,(H,20,21)
InChIKeyVHMAJXMDKRARBG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.98
Rot. Bonds6

About 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide

4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120598414) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120598414
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NC2CCNC(C)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-13(2)9-11-22-17-6-4-15(5-7-17)18(21)20-16-8-10-19-14(3)12-16/h4-7,13-14,16,19H,8-12H2,1-3H3,(H,20,21)
InChIKeyVHMAJXMDKRARBG-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553316
4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120600670
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
2-methyl-N-(2-methylpiperidin-4-yl)-2-[4-(2-methylpropoxy)phenyl]propanamide
CID 120602159
N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 120602047
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601242

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide (CID 120598414) is 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide is CC(C)CCOc1ccc(C(=O)NC2CCNC(C)C2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is VHMAJXMDKRARBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)9-11-22-17-6-4-15(5-7-17)18(21)20-16-8-10-19-14(3)12-16/h4-7,13-14,16,19H,8-12H2,1-3H3,(H,20,21).
What are the key properties of 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide?
4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120598414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).