4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide

C23H29BrN2O2 — CID 55866230

IUPAC4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide
SMILESCc1ccccc1CN1CCC(NC(=O)CCCOc2ccccc2Br)CC1
InChIInChI=1S/C23H29BrN2O2/c1-18-7-2-3-8-19(18)17-26-14-12-20(13-15-26)25-23(27)11-6-16-28-22-10-5-4-9-21(22)24/h2-5,7-10,20H,6,11-17H2,1H3,(H,25,27)
InChIKeyJSGUIYQPNZRZJF-UHFFFAOYSA-N
MW445.40 g/mol
LogP4.70
Rot. Bonds8

About 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide

4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide (PubChem CID 55866230) has the molecular formula C23H29BrN2O2 and a molecular weight of 445.40 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide
PubChem CID55866230
Molecular FormulaC23H29BrN2O2
Molecular Weight445.40 g/mol
Exact Mass444.14
IUPAC Name4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide
SMILESCc1ccccc1CN1CCC(NC(=O)CCCOc2ccccc2Br)CC1
InChIInChI=1S/C23H29BrN2O2/c1-18-7-2-3-8-19(18)17-26-14-12-20(13-15-26)25-23(27)11-6-16-28-22-10-5-4-9-21(22)24/h2-5,7-10,20H,6,11-17H2,1H3,(H,25,27)
InChIKeyJSGUIYQPNZRZJF-UHFFFAOYSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 54.70
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

4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
CID 49072721
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
2-(2-butan-2-ylphenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753957
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561260
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
4-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562734
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide (CID 55866230) is 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide is Cc1ccccc1CN1CCC(NC(=O)CCCOc2ccccc2Br)CC1.
What is the InChIKey of 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide?
The InChIKey is JSGUIYQPNZRZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O2/c1-18-7-2-3-8-19(18)17-26-14-12-20(13-15-26)25-23(27)11-6-16-28-22-10-5-4-9-21(22)24/h2-5,7-10,20H,6,11-17H2,1H3,(H,25,27).
What are the key properties of 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide?
4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide has a molecular weight of 445.40 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 55866230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).