3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

C24H30N2O3 — CID 108555362

IUPAC3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(OCCCC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-18-8-10-22(11-9-18)29-16-4-7-23(27)26-14-12-21(13-15-26)25-24(28)20-6-3-5-19(2)17-20/h3,5-6,8-11,17,21H,4,7,12-16H2,1-2H3,(H,25,28)
InChIKeyAXJGCHPMPCGTNH-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.88
Rot. Bonds7

About 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (PubChem CID 108555362) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
PubChem CID108555362
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(OCCCC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-18-8-10-22(11-9-18)29-16-4-7-23(27)26-14-12-21(13-15-26)25-24(28)20-6-3-5-19(2)17-20/h3,5-6,8-11,17,21H,4,7,12-16H2,1-2H3,(H,25,28)
InChIKeyAXJGCHPMPCGTNH-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550599
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108565343
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555353

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (CID 108555362) is 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is Cc1ccc(OCCCC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The InChIKey is AXJGCHPMPCGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-8-10-22(11-9-18)29-16-4-7-23(27)26-14-12-21(13-15-26)25-24(28)20-6-3-5-19(2)17-20/h3,5-6,8-11,17,21H,4,7,12-16H2,1-2H3,(H,25,28).
What are the key properties of 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108555362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).